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2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 323.5 Conformer RMSD 7 2011.09.13 1 Diverse Conformer ID List 6 2012.02.08 1 6 12 5 4 2 8 7 3 13 11 9 10 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 37 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 0.03 24 0.28 25 0.28 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.57 30 0.08 31 0.28 38 0.36 4 -0.56 41 0.15 42 0.15 43 0.4 5 -0.36 52 0.15 53 0.15 54 0.15 55 0.15 6 -0.9 7 -0.47 8 -0.66 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 acceptor 1 6 cation 1 6 donor 5 6 9 10 11 12 rings 5 7 9 10 13 14 rings 6 23 26 27 28 29 30 rings 6 4 8 21 22 24 25 rings 6 7 14 17 18 19 20 rings 31 4 4 0 0 0 0 0 1 1