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17.46 5.13 0.97 42.09 2.07 0.01 5.8 1.62 -11.88 0.61 0.89 0.02 -0.86 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1365.655 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 340.2 Conformer RMSD 7 2012.01.18 0.8 Diverse Conformer ID List 6 2012.01.18 1 10 26 31 34 21 39 17 19 30 11 36 20 24 25 14 35 15 9 13 6 12 32 33 37 27 7 8 23 3 18 16 29 38 2 28 5 22 4 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 36 1 -0.36 10 0.37 11 0.37 12 0.27 13 0.1 14 -0.15 15 -0.15 17 0.05 18 0.23 2 -0.36 20 -0.15 21 -0.15 22 -0.15 24 0.31 25 0.16 26 -0.15 27 0.26 28 -0.15 29 0.08 3 -0.81 30 0.08 31 0.28 32 0.28 4 -0.84 43 0.15 44 0.15 48 0.15 49 0.15 5 0.31 50 0.15 51 0.15 55 0.15 6 -0.71 7 -0.62 8 0.27 9 0.27 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 6.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 11 1 1 acceptor 1 2 acceptor 1 3 cation 1 4 cation 1 6 acceptor 1 7 acceptor 5 5 6 18 19 22 rings 6 13 14 15 17 20 21 rings 6 23 24 26 28 29 30 rings 6 3 4 8 9 10 11 rings 6 7 19 22 23 24 25 rings 32 0 0 0 0 0 0 0 1 1