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Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 673.91 40.57 3.23 1.08 29.81 0.1 -0.1 39.87 -6.8 -3.74 -0.48 -1.57 0.37 2.93 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1493.513 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 360.5 Conformer RMSD 7 2012.05.21 1 Diverse Conformer ID List 6 2012.05.21 1 4 11 7 9 6 10 2 3 8 5 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 52 1 -0.57 10 -0.14 11 0.29 12 -0.15 13 0.12 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 0.03 20 -0.14 21 0.09 22 0.54 23 0.1 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.57 30 -0.15 31 -0.15 32 -0.15 33 0.37 34 0.37 35 0.27 38 0.15 39 0.15 4 -0.55 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 45 0.37 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.84 50 0.15 51 0.15 52 0.15 53 0.15 54 0.15 6 -0.15 7 0.13 8 0.05 9 0.23 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 7 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 10 1 1 acceptor 1 2 donor 1 4 donor 1 5 cation 3 2 3 7 cation 5 2 3 6 7 9 rings 6 20 24 25 30 31 32 rings 6 21 23 26 27 28 29 rings 6 6 9 12 13 18 19 rings 6 8 10 14 15 16 17 rings 34 0 0 0 0 0 0 0 1 4