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17412148016665623496 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 620.12 10.99 4.86 1.91 3.65 6.8 -0.4 -9.26 7.79 -5.15 0.36 1.61 -0.49 0.63 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1337.862 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 338.7 Conformer RMSD 7 2012.05.21 1 Diverse Conformer ID List 6 2012.05.21 1 5 10 12 8 7 6 11 2 3 4 9 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 31 1 -0.68 10 -0.18 13 -0.33 14 0.48 15 0.27 16 0.27 18 -0.15 19 0.57 2 -0.57 20 0.28 21 0.06 22 -0.15 23 0.27 24 0.26 25 -0.15 28 -0.15 29 0.08 3 -0.56 30 0.28 31 0.28 32 0.28 4 -0.36 47 0.15 5 -0.66 54 0.15 59 0.15 6 -0.81 64 0.4 7 0.05 8 0.18 9 0.3 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 6.8 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 12 1 1 acceptor 1 1 donor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 6 cation 1 7 cation 5 7 10 13 17 18 rings 6 17 18 22 25 28 29 rings 6 3 21 26 27 30 31 rings 6 5 8 9 10 13 14 rings 6 6 8 11 12 15 16 rings 32 1 1 0 0 0 0 0 1 1