Rank,Formula,MW,LogP,HPScore,HMScore,HSScore,Average,Name 1 C27H32N5O4S 522.4 2.46 6.75 7.40 6.46 6.87 1ppc_ligand.crystal 2 C27H32N5O4S 522.4 2.46 6.83 7.17 6.60 6.87 1ppc-ligand.1ppc.001 3 C27H32N5O4S 522.4 2.46 6.73 6.72 6.55 6.67 1ppc-ligand.1ppc.002 4 C27H32N5O4S 522.4 2.46 6.26 7.23 6.13 6.54 1ppc-ligand.1ppc.017 5 C27H32N5O4S 522.4 2.46 6.63 6.49 6.12 6.41 1ppc-ligand.1ppc.026 6 C27H32N5O4S 522.4 2.46 6.41 6.56 6.24 6.40 1ppc-ligand.1ppc.009 7 C27H32N5O4S 522.4 2.46 6.47 6.49 6.16 6.37 1ppc-ligand.1ppc.030 8 C27H32N5O4S 522.4 2.46 6.17 6.80 5.98 6.31 1ppc-ligand.1ppc.003 9 C27H32N5O4S 522.4 2.46 6.19 6.49 6.21 6.30 1ppc-ligand.1ppc.015 10 C27H32N5O4S 522.4 2.46 6.27 6.12 6.45 6.28 1ppc-ligand.1ppc.011 11 C27H32N5O4S 522.4 2.46 6.29 6.22 6.21 6.24 1ppc-ligand.1ppc.033 12 C27H32N5O4S 522.4 2.46 6.42 5.93 6.34 6.23 1ppc-ligand.1ppc.008 13 C27H32N5O4S 522.4 2.46 5.90 6.85 5.93 6.23 1ppc-ligand.1ppc.032 14 C27H32N5O4S 522.4 2.46 6.17 6.66 5.84 6.22 1ppc-ligand.1ppc.089 15 C27H32N5O4S 522.4 2.46 6.25 6.01 6.36 6.21 1ppc-ligand.1ppc.018 16 C27H32N5O4S 522.4 2.46 6.07 6.67 5.86 6.20 1ppc-ligand.1ppc.054 17 C27H32N5O4S 522.4 2.46 5.83 7.00 5.72 6.18 1ppc-ligand.1ppc.081 18 C27H32N5O4S 522.4 2.46 6.17 6.21 6.10 6.16 1ppc-ligand.1ppc.060 19 C27H32N5O4S 522.4 2.46 6.11 6.19 6.15 6.15 1ppc-ligand.1ppc.016 20 C27H32N5O4S 522.4 2.46 6.15 6.43 5.84 6.14 1ppc-ligand.1ppc.037 21 C27H32N5O4S 522.4 2.46 6.01 6.20 6.18 6.13 1ppc-ligand.1ppc.019 22 C27H32N5O4S 522.4 2.46 6.25 5.79 6.30 6.11 1ppc-ligand.1ppc.036 23 C27H32N5O4S 522.4 2.46 6.22 6.00 6.07 6.10 1ppc-ligand.1ppc.043 24 C27H32N5O4S 522.4 2.46 6.01 6.31 5.97 6.09 1ppc-ligand.1ppc.024 25 C27H32N5O4S 522.4 2.46 6.32 6.05 5.91 6.09 1ppc-ligand.1ppc.084 26 C27H32N5O4S 522.4 2.46 5.98 6.42 5.85 6.08 1ppc-ligand.1ppc.034 27 C27H32N5O4S 522.4 2.46 5.89 6.44 5.92 6.08 1ppc-ligand.1ppc.006 28 C27H32N5O4S 522.4 2.46 5.95 6.54 5.73 6.07 1ppc-ligand.1ppc.079 29 C27H32N5O4S 522.4 2.46 5.97 6.28 5.98 6.07 1ppc-ligand.1ppc.014 30 C27H32N5O4S 522.4 2.46 5.79 6.44 5.97 6.07 1ppc-ligand.1ppc.004 31 C27H32N5O4S 522.4 2.46 5.86 6.24 5.97 6.02 1ppc-ligand.1ppc.031 32 C27H32N5O4S 522.4 2.46 5.90 6.09 6.08 6.02 1ppc-ligand.1ppc.020 33 C27H32N5O4S 522.4 2.46 6.05 5.88 6.08 6.00 1ppc-ligand.1ppc.047 34 C27H32N5O4S 522.4 2.46 6.02 5.90 6.06 5.99 1ppc-ligand.1ppc.042 35 C27H32N5O4S 522.4 2.46 5.76 6.07 6.07 5.97 1ppc-ligand.1ppc.022 36 C27H32N5O4S 522.4 2.46 5.95 6.24 5.70 5.96 1ppc-ligand.1ppc.028 37 C27H32N5O4S 522.4 2.46 5.92 5.80 6.16 5.96 1ppc-ligand.1ppc.048 38 C27H32N5O4S 522.4 2.46 5.74 6.60 5.54 5.96 1ppc-ligand.1ppc.052 39 C27H32N5O4S 522.4 2.46 6.05 5.96 5.83 5.95 1ppc-ligand.1ppc.072 40 C27H32N5O4S 522.4 2.46 6.04 5.57 6.21 5.94 1ppc-ligand.1ppc.012 41 C27H32N5O4S 522.4 2.46 5.54 6.77 5.49 5.93 1ppc-ligand.1ppc.046 42 C27H32N5O4S 522.4 2.46 5.97 5.73 6.07 5.93 1ppc-ligand.1ppc.041 43 C27H32N5O4S 522.4 2.46 5.95 5.70 6.10 5.92 1ppc-ligand.1ppc.069 44 C27H32N5O4S 522.4 2.46 5.83 6.02 5.89 5.91 1ppc-ligand.1ppc.075 45 C27H32N5O4S 522.4 2.46 6.00 5.50 6.21 5.91 1ppc-ligand.1ppc.021 46 C27H32N5O4S 522.4 2.46 5.79 6.00 5.92 5.90 1ppc-ligand.1ppc.044 47 C27H32N5O4S 522.4 2.46 5.57 6.65 5.43 5.88 1ppc-ligand.1ppc.065 48 C27H32N5O4S 522.4 2.46 5.79 6.20 5.64 5.87 1ppc-ligand.1ppc.035 49 C27H32N5O4S 522.4 2.46 5.84 5.84 5.93 5.87 1ppc-ligand.1ppc.038 50 C27H32N5O4S 522.4 2.46 5.60 6.41 5.58 5.86 1ppc-ligand.1ppc.050 51 C27H32N5O4S 522.4 2.46 5.84 5.88 5.87 5.86 1ppc-ligand.1ppc.010 52 C27H32N5O4S 522.4 2.46 5.80 5.87 5.90 5.86 1ppc-ligand.1ppc.025 53 C27H32N5O4S 522.4 2.46 5.57 6.51 5.42 5.83 1ppc-ligand.1ppc.083 54 C27H32N5O4S 522.4 2.46 5.70 6.20 5.56 5.82 1ppc-ligand.1ppc.071 55 C27H32N5O4S 522.4 2.46 5.93 5.88 5.60 5.81 1ppc-ligand.1ppc.076 56 C27H32N5O4S 522.4 2.46 5.44 6.28 5.68 5.80 1ppc-ligand.1ppc.005 57 C27H32N5O4S 522.4 2.46 5.65 6.00 5.72 5.79 1ppc-ligand.1ppc.073 58 C27H32N5O4S 522.4 2.46 5.72 5.61 6.01 5.78 1ppc-ligand.1ppc.023 59 C27H32N5O4S 522.4 2.46 5.80 5.68 5.77 5.75 1ppc-ligand.1ppc.055 60 C27H32N5O4S 522.4 2.46 5.39 6.62 5.24 5.75 1ppc-ligand.1ppc.051 61 C27H32N5O4S 522.4 2.46 5.67 5.62 5.93 5.74 1ppc-ligand.1ppc.013 62 C27H32N5O4S 522.4 2.46 5.71 5.56 5.95 5.74 1ppc-ligand.1ppc.070 63 C27H32N5O4S 522.4 2.46 5.46 6.14 5.56 5.72 1ppc-ligand.1ppc.080 64 C27H32N5O4S 522.4 2.46 5.72 5.50 5.94 5.72 1ppc-ligand.1ppc.040 65 C27H32N5O4S 522.4 2.46 5.75 5.74 5.66 5.72 1ppc-ligand.1ppc.067 66 C27H32N5O4S 522.4 2.46 5.99 5.43 5.72 5.71 1ppc-ligand.1ppc.077 67 C27H32N5O4S 522.4 2.46 5.65 6.25 5.18 5.69 1ppc-ligand.1ppc.095 68 C27H32N5O4S 522.4 2.46 5.63 5.58 5.83 5.68 1ppc-ligand.1ppc.061 69 C27H32N5O4S 522.4 2.46 5.61 5.86 5.55 5.67 1ppc-ligand.1ppc.086 70 C27H32N5O4S 522.4 2.46 5.51 6.19 5.26 5.65 1ppc-ligand.1ppc.029 71 C27H32N5O4S 522.4 2.46 5.50 5.76 5.68 5.65 1ppc-ligand.1ppc.056 72 C27H32N5O4S 522.4 2.46 5.62 5.86 5.46 5.65 1ppc-ligand.1ppc.049 73 C27H32N5O4S 522.4 2.46 5.45 6.36 5.07 5.63 1ppc-ligand.1ppc.068 74 C27H32N5O4S 522.4 2.46 5.82 5.36 5.68 5.62 1ppc-ligand.1ppc.087 75 C27H32N5O4S 522.4 2.46 5.64 5.48 5.73 5.62 1ppc-ligand.1ppc.045 76 C27H32N5O4S 522.4 2.46 5.61 5.75 5.46 5.60 1ppc-ligand.1ppc.074 77 C27H32N5O4S 522.4 2.46 5.48 5.67 5.65 5.60 1ppc-ligand.1ppc.063 78 C27H32N5O4S 522.4 2.46 5.72 5.16 5.91 5.60 1ppc-ligand.1ppc.039 79 C27H32N5O4S 522.4 2.46 5.45 5.74 5.57 5.59 1ppc-ligand.1ppc.062 80 C27H32N5O4S 522.4 2.46 5.46 5.56 5.68 5.57 1ppc-ligand.1ppc.057 81 C27H32N5O4S 522.4 2.46 5.42 5.57 5.50 5.50 1ppc-ligand.1ppc.098 82 C27H32N5O4S 522.4 2.46 5.62 5.07 5.80 5.50 1ppc-ligand.1ppc.027 83 C27H32N5O4S 522.4 2.46 5.38 5.81 5.29 5.49 1ppc-ligand.1ppc.066 84 C27H32N5O4S 522.4 2.46 5.53 5.41 5.53 5.49 1ppc-ligand.1ppc.064 85 C27H32N5O4S 522.4 2.46 5.73 5.45 5.26 5.48 1ppc-ligand.1ppc.094 86 C27H32N5O4S 522.4 2.46 5.47 5.37 5.57 5.47 1ppc-ligand.1ppc.082 87 C27H32N5O4S 522.4 2.46 5.47 5.56 5.36 5.47 1ppc-ligand.1ppc.090 88 C27H32N5O4S 522.4 2.46 5.59 5.00 5.73 5.44 1ppc-ligand.1ppc.053 89 C27H32N5O4S 522.4 2.46 5.45 5.75 5.04 5.41 1ppc-ligand.1ppc.097 90 C27H32N5O4S 522.4 2.46 5.30 5.78 5.06 5.38 1ppc-ligand.1ppc.092 91 C27H32N5O4S 522.4 2.46 5.35 5.76 4.94 5.35 1ppc-ligand.1ppc.099 92 C27H32N5O4S 522.4 2.46 5.43 4.91 5.65 5.33 1ppc-ligand.1ppc.091 93 C27H32N5O4S 522.4 2.46 5.22 5.34 5.39 5.31 1ppc-ligand.1ppc.058 94 C27H32N5O4S 522.4 2.46 5.08 5.33 5.19 5.20 1ppc-ligand.1ppc.085 95 C27H32N5O4S 522.4 2.46 5.28 4.89 5.32 5.17 1ppc-ligand.1ppc.078 96 C27H32N5O4S 522.4 2.46 5.19 4.92 5.35 5.15 1ppc-ligand.1ppc.059 97 C27H32N5O4S 522.4 2.46 4.81 5.86 4.68 5.11 1ppc-ligand.1ppc.093 98 C27H32N5O4S 522.4 2.46 4.96 5.38 4.99 5.11 1ppc-ligand.1ppc.096 99 C27H32N5O4S 522.4 2.46 5.03 5.09 5.16 5.09 1ppc-ligand.1ppc.100 100 C27H32N5O4S 522.4 2.46 4.97 4.59 4.75 4.77 1ppc-ligand.1ppc.088