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Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 456.26 17.73 2.34 1.15 18.84 0.36 -0.06 -7.47 3.74 -4.53 0.18 0.64 0.06 -1.63 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 999.85 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 248.8 Conformer RMSD 7 2012.05.21 0.8 Diverse Conformer ID List 6 2012.05.21 1 23 17 22 14 13 11 8 10 15 3 16 20 24 2 26 18 19 12 25 7 5 9 4 21 6 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 33 1 -0.34 10 -0.15 11 0.24 12 -0.15 13 -0.15 14 0.18 15 0.57 16 -0.15 17 -0.15 18 0.12 19 -0.15 2 -0.34 20 -0.15 21 -0.14 22 -0.15 23 -0.15 24 1.16 27 0.27 28 0.15 29 0.15 3 -0.34 33 0.15 34 0.15 35 0.37 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.57 5 0.03 6 -0.55 7 -0.18 9 -0.33 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 5 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 7 1 4 acceptor 1 5 cation 1 5 donor 1 6 donor 5 5 7 8 9 10 rings 6 18 19 20 21 22 23 rings 6 8 10 12 13 16 17 rings 24 0 0 0 0 0 0 0 1 3