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17416115089595537110 6698420 124 18130799902059459249 6700243 42 17622492532042565583 79837 15 18335714814438888195 9658208 31 18411140208054678914 9981440 41 18189342269315054729 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 621.01 15.67 5.13 1.8 13.98 4.73 -1.15 -6.39 -2.44 -10.29 -1.88 4.06 -0.44 3.67 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1343.038 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 341.4 Conformer RMSD 7 2012.05.21 1 Diverse Conformer ID List 6 2012.05.21 5 32 11 22 26 34 30 27 33 31 13 15 16 29 35 20 21 8 25 9 24 28 7 19 17 10 3 18 6 14 12 23 1 4 2 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 41 1 -0.36 10 -0.2 11 0.59 12 0.41 13 0.37 14 0.37 15 0.37 16 0.37 18 0.31 19 0.1 2 -0.36 20 -0.15 21 -0.15 22 0.08 23 0.08 24 0.08 25 -0.15 26 -0.15 27 -0.15 28 -0.15 29 0.28 3 -0.36 30 0.28 31 0.28 33 0.1 34 0.1 35 0.1 36 0.1 37 0.1 4 -0.84 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.62 50 0.15 51 0.15 6 -0.84 7 -0.62 8 -0.07 9 -0.2 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 8.8 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 10 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 6 cation 3 4 5 12 cation 3 5 7 11 cation 6 17 18 20 21 22 23 rings 6 19 24 25 26 27 28 rings 6 4 6 13 14 15 16 rings 6 5 7 11 12 17 18 rings 32 0 0 0 0 0 0 0 1 1