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129 124 17 47 179 158 172 114 91 64 165 90 162 175 119 56 183 1 141 78 161 152 73 97 36 174 180 164 8 151 117 46 87 21 81 6 93 146 60 177 32 99 33 3 28 43 11 25 166 58 10 13 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 52 1 -0.19 10 0.16 11 0.22 12 0.22 13 0.27 14 -0.16 15 0.45 16 -0.33 18 0.41 19 -0.15 2 -0.68 20 0.28 21 0.69 22 -0.15 23 -0.15 24 -0.14 25 -0.15 26 0.08 27 -0.15 28 -0.15 29 0.12 3 -0.57 30 -0.15 31 -0.15 32 0.08 33 -0.15 34 -0.15 35 0.28 36 0.19 37 -0.15 38 -0.15 39 0.28 4 -0.36 47 0.27 5 -0.36 52 0.15 53 0.15 54 0.37 55 0.15 56 0.4 57 0.15 58 0.15 59 0.15 6 -0.51 60 0.15 61 0.15 62 0.15 66 0.15 67 0.15 7 -0.81 8 0.03 9 -0.55 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 9.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 15 1 2 acceptor 1 2 donor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 7 cation 1 8 cation 1 8 donor 1 9 donor 4 6 10 11 12 rings 5 8 14 16 17 19 rings 6 17 19 22 23 25 26 rings 6 24 27 28 30 31 32 rings 6 29 33 34 36 37 38 rings 6 7 10 13 14 15 16 rings 39 1 0 1 0 0 0 0 1 2