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-6.49 1.11 1.76 -0.54 -2.31 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1473.496 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 372.9 Conformer RMSD 7 2012.05.21 1.6 Diverse Conformer ID List 6 2012.05.21 3 63 25 17 49 29 53 39 14 6 27 37 32 20 50 55 23 12 56 58 35 4 26 44 43 15 5 22 34 57 1 8 31 10 36 42 16 24 7 13 21 30 45 2 38 11 18 65 61 33 47 67 19 52 60 66 9 62 28 54 48 51 64 40 41 59 46 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 52 1 -0.18 10 0.08 11 0.41 12 0.03 13 0.42 14 -0.15 15 -0.15 16 0.03 17 -0.14 18 0.18 19 -0.15 2 -0.19 20 -0.18 21 -0.18 22 0.12 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 -0.15 29 0.16 3 -0.36 30 0.19 31 -0.15 32 -0.15 33 0.47 34 0.57 35 0.06 36 0.4 39 0.15 4 -0.57 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.6 50 0.15 51 0.15 52 0.37 53 0.15 54 0.15 6 -0.62 7 -0.55 8 -0.62 9 0.1 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 9 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 10 1 3 acceptor 1 4 acceptor 1 5 donor 1 7 donor 3 5 6 11 cation 3 6 8 33 cation 6 16 22 23 24 27 28 rings 6 17 25 26 30 31 32 rings 6 6 8 11 12 29 33 rings 6 9 10 14 15 18 19 rings 35 0 0 0 1 0 1 0 1 12