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Conformer RMSD 7 2012.05.21 1 Diverse Conformer ID List 6 2012.05.21 1 10 17 18 16 3 11 15 14 13 8 9 19 7 12 2 4 6 5 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 39 1 0.37 10 0.41 11 -0.14 13 0.19 14 0.31 15 -0.15 16 0.28 2 -0.5 20 0.4 22 -0.15 23 0.54 24 -0.15 26 -0.15 27 -0.15 29 0.3 3 -0.68 30 0.3 31 -0.15 32 -0.15 33 -0.15 34 -0.15 35 -0.15 4 -0.57 41 0.15 5 -0.6 53 0.15 54 0.15 55 0.4 56 0.15 57 0.15 6 -0.62 64 0.15 65 0.15 66 0.15 67 0.15 68 0.15 7 -0.66 8 0.41 9 -0.14 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 8.6 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 9 1 3 acceptor 1 3 donor 1 4 acceptor 1 6 acceptor 4 13 17 18 19 hydrophobe 5 5 8 9 10 11 rings 6 21 22 24 25 26 27 rings 6 28 31 32 33 34 35 rings 6 6 9 11 14 15 20 rings 35 2 2 0 0 0 0 0 1 1