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18408042918053555151 59755656 215 18410011009792729814 621550 34 17917991672665756196 7495541 125 16950852517189107129 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 467.39 11.14 2.65 1.14 0.37 1.62 0.33 -1.53 0.03 1.51 -0.39 -1.43 -0.03 1.03 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1010.93 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 256.3 Conformer RMSD 7 2012.11.26 0.8 Diverse Conformer ID List 6 2012.11.26 1 4 7 8 9 3 6 5 2 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 27 1 -0.19 10 0.37 11 0.27 12 0.27 13 0.1 15 0.19 16 0.1 17 0.19 18 0.09 19 -0.15 2 -0.19 20 0.37 21 0.47 22 -0.05 23 0.03 25 0.71 3 -0.57 33 0.36 37 0.15 4 -0.65 40 0.15 44 0.5 5 -0.57 6 -0.84 7 -0.9 8 -0.57 9 0.37 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 4.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 11 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 cation 1 7 cation 1 7 donor 1 8 cation 3 4 5 25 anion 6 13 15 16 17 18 19 rings 6 6 7 9 10 11 12 rings 6 8 16 18 21 22 23 rings 25 1 0 1 0 0 0 0 1 1