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18340200774814513466 542803 24 14908183062255390242 5969126 39 18343012303598870845 59755656 215 18410013230480842782 67856867 119 17896324781979963700 7226269 152 18260265253204789363 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 467.22 18.7 2.73 0.79 21.42 2.79 0 -1.71 -0.92 -3.8 0.23 0.11 -0.02 1.31 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 990.313 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 263.8 Conformer RMSD 7 2012.05.21 0.8 Diverse Conformer ID List 6 2012.05.21 1 5 2 3 4 7 6 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 36 1 -0.08 10 -0.15 11 0.03 12 -0.18 13 -0.15 14 -0.15 15 0.1 16 -0.29 17 -0.15 18 -0.15 19 -0.15 2 -0.18 20 -0.15 21 0.37 22 0.37 23 -0.3 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.84 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 4 0.33 43 0.15 44 0.15 5 0.33 6 0.04 7 0.65 8 -0.15 9 -0.11 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 5 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 5 1 23 hydrophobe 1 3 cation 5 1 2 4 5 6 rings 6 11 15 17 18 19 20 rings 6 4 6 8 10 13 14 rings 23 0 0 0 1 1 0 0 1 1