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Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 473.83 17.92 3.31 1.37 14.77 0.95 0.01 -13.44 2.65 -1.88 0.47 -2.02 -0.28 2.5 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 976.647 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 273.3 Conformer RMSD 7 2010.09.21 0.8 Diverse Conformer ID List 6 2012.02.08 1 173 194 211 93 207 177 203 182 151 162 127 198 120 156 97 108 189 137 68 168 30 102 35 131 193 216 16 215 141 178 191 69 118 174 153 143 142 18 157 38 147 133 92 85 197 73 49 44 152 210 159 56 166 19 150 176 206 105 213 107 96 67 209 41 161 109 72 179 172 148 89 170 199 116 77 205 169 110 54 61 94 195 111 154 64 212 46 74 129 82 103 135 188 132 55 145 70 60 7 90 134 63 214 114 192 50 146 202 3 115 8 28 31 71 6 88 149 190 106 40 122 81 104 144 26 160 128 126 59 78 124 117 11 112 165 121 185 101 119 53 27 80 37 4 47 95 29 187 136 52 140 138 98 22 51 10 123 14 17 164 45 84 113 171 48 180 204 175 36 5 13 12 183 24 83 42 186 32 86 130 184 21 9 58 163 125 75 2 15 57 158 201 39 87 34 91 208 200 62 76 196 65 139 167 23 66 25 181 33 79 99 20 43 100 155 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 27 1 -0.18 14 0.45 15 0.05 16 -0.11 17 0.44 18 0.69 19 0.12 2 -0.08 20 0.18 21 -0.15 22 -0.15 23 -0.15 24 -0.15 3 -0.57 37 0.36 38 0.36 39 0.15 4 -0.99 40 0.37 41 0.37 42 0.15 43 0.15 44 0.15 45 0.15 5 -0.57 6 -0.49 7 -0.55 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 7.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 8 1 3 acceptor 1 4 cation 1 4 donor 1 6 donor 1 7 donor 5 2 5 15 16 17 rings 6 19 20 21 22 23 24 rings 6 8 9 10 11 12 13 rings 24 1 0 1 0 0 0 0 1 5