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Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 338 Conformer RMSD 7 2011.09.13 1 Diverse Conformer ID List 6 2012.02.08 1 8 14 4 5 7 3 12 11 10 13 2 6 9 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 38 1 -0.68 10 0.41 12 0.33 13 0.3 14 -0.03 15 0.28 16 0.57 17 -0.15 18 0.62 19 -0.01 2 -0.57 20 -0.15 21 0.3 22 0.3 23 0.27 24 0.27 25 0.03 26 0.27 27 -0.15 28 -0.15 29 -0.15 3 -0.57 30 -0.15 31 0.08 32 0.28 39 0.36 4 -0.36 42 0.15 43 0.15 48 0.4 5 -0.9 56 0.15 57 0.15 58 0.15 59 0.15 6 -0.47 7 -0.66 8 -0.81 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 13 1 1 acceptor 1 1 donor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 cation 1 5 donor 1 8 cation 5 5 9 10 11 12 rings 5 6 9 10 13 14 rings 6 25 27 28 29 30 31 rings 6 6 14 17 18 19 20 rings 6 7 8 21 22 23 24 rings 32 4 4 0 0 0 0 0 1 1