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18410857672447977474 6442390 28 17402897116729867609 9962374 69 18269551814445284799 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 635.79 13.32 6.16 1.69 12.67 9.8 -0.27 -18.43 1.62 0.9 2.72 -1.49 2.03 0.64 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1336.875 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 365.9 Conformer RMSD 7 2012.05.21 1 Diverse Conformer ID List 6 2012.05.21 1 11 18 9 16 17 13 12 7 14 19 3 8 2 15 10 5 6 4 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 31 1 -0.11 10 0.22 11 -0.14 15 0.41 16 -0.14 18 0.19 19 0.31 2 0.37 20 -0.15 21 0.4 22 0.54 23 0.28 28 -0.15 29 -0.15 3 -0.5 30 0.11 31 -0.15 32 -0.15 4 -0.68 45 0.37 46 0.15 5 -0.57 58 0.15 59 0.15 6 -0.6 60 0.4 61 0.15 62 0.15 7 -0.65 8 -0.62 9 0.41 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 9.4 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 11 1 1 hydrophobe 1 4 acceptor 1 4 donor 1 5 acceptor 1 7 donor 1 8 acceptor 4 10 12 13 14 rings 4 18 24 25 26 hydrophobe 5 6 9 11 15 16 rings 6 27 28 29 30 31 32 rings 6 8 11 16 19 20 21 rings 32 2 2 0 0 0 0 0 1 2