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Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 709.2 40.68 3.33 1.1 23.57 0.1 -0.02 38.68 -2.46 6.84 -0.27 -1.48 0.51 0.26 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1585.965 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 369.9 Conformer RMSD 7 2012.05.21 1 Diverse Conformer ID List 6 2012.05.21 1 6 13 2 8 4 10 18 16 20 21 14 22 11 7 3 17 12 15 5 19 9 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 33 1 -0.57 11 0.06 17 0.57 18 0.12 19 -0.15 2 -0.57 20 -0.15 21 -0.15 22 -0.15 23 0.06 28 0.05 29 0.57 3 -0.55 30 0.13 31 0.12 32 -0.15 33 0.23 34 -0.15 35 -0.15 36 -0.15 4 -0.55 5 0.03 52 0.37 53 0.15 54 0.15 56 0.15 57 0.15 6 -0.57 66 0.37 67 0.27 68 0.15 69 0.15 70 0.15 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 9.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 14 1 1 acceptor 1 2 acceptor 1 3 donor 1 4 donor 1 5 donor 3 5 6 30 cation 5 23 24 25 26 27 rings 5 5 6 30 32 33 rings 6 18 19 20 21 22 28 rings 6 31 32 33 34 35 36 rings 6 7 8 10 11 13 15 rings 6 7 8 9 11 12 14 rings 6 7 9 10 12 13 16 rings 6 8 9 10 14 15 16 rings 36 0 0 0 0 0 0 0 1 36