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Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 640.7 25.59 5.33 1.07 4.42 4 -0.18 -34.72 9.08 -2.31 1.93 0.7 0.02 0.49 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1384.668 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 350 Conformer RMSD 7 2012.11.26 1 Diverse Conformer ID List 6 2012.11.26 2 173 133 88 106 34 150 107 18 12 135 158 48 187 127 152 101 6 119 86 123 81 46 136 71 137 16 162 139 73 183 159 67 25 79 95 179 89 24 8 186 29 99 134 80 70 72 185 66 177 171 49 153 169 28 57 141 151 19 98 76 32 145 118 40 130 168 124 149 122 129 15 51 78 39 131 45 164 155 92 120 109 31 170 90 126 163 111 21 58 35 59 161 172 50 52 132 142 69 68 13 144 63 103 37 178 154 128 115 110 94 20 55 113 23 36 138 156 84 77 174 180 56 116 91 87 105 148 30 147 157 184 10 41 125 165 65 22 140 108 160 75 38 104 26 83 114 85 27 54 96 47 121 62 166 82 100 61 60 102 64 97 14 11 74 143 176 43 182 117 53 181 175 146 167 42 93 112 3 5 44 33 9 7 4 17 1 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 43 1 -0.68 10 0.22 11 0.3 12 -0.11 13 0.28 14 0.57 15 0.36 16 -0.15 17 -0.15 18 0.69 19 -0.15 2 -0.57 20 -0.15 21 0.03 22 -0.17 23 0.14 25 -0.29 26 0.14 27 0.12 28 -0.15 29 -0.15 3 -0.57 30 0.08 31 -0.15 32 -0.15 33 0.28 4 -0.36 43 0.15 44 0.15 45 0.4 46 0.15 47 0.15 48 0.37 5 -0.51 53 0.15 56 0.15 57 0.15 58 0.15 59 0.15 6 -0.66 7 -0.55 8 0.22 9 0.11 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 8.6 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 11 1 1 acceptor 1 1 donor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 7 donor 4 5 8 9 10 rings 5 22 23 24 25 26 rings 6 12 16 17 19 20 21 rings 6 27 28 29 30 31 32 rings 6 5 6 8 11 14 15 rings 33 3 0 3 0 0 0 0 1 4