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0.15 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1485.526 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 368.5 Conformer RMSD 7 2011.09.13 1 Diverse Conformer ID List 6 2012.02.08 1 49 35 14 62 84 56 69 5 15 53 68 58 91 54 23 82 24 98 18 38 72 45 30 104 55 12 36 74 64 83 99 4 103 86 81 41 16 70 87 101 61 67 44 11 93 97 96 47 31 40 33 52 57 50 90 34 6 37 85 100 79 78 94 48 65 66 21 9 51 17 7 92 76 13 75 26 95 80 32 73 59 46 27 106 71 22 60 102 105 43 25 42 63 2 88 89 77 10 39 19 8 29 20 28 3 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 41 1 -0.56 10 -0.55 11 0.3 12 0.28 15 0.28 16 0.28 17 0.06 18 0.54 19 0.3 2 -0.36 20 0.09 21 0.08 22 0.57 23 -0.15 24 -0.15 25 0.12 26 -0.15 27 0.3 29 0.54 3 -0.57 30 0.09 31 -0.15 32 -0.15 33 0.08 34 0.08 35 -0.15 36 0.56 4 -0.57 5 -0.57 51 0.15 52 0.15 53 0.37 54 0.15 57 0.37 6 -0.36 61 0.15 62 0.15 63 0.15 7 -0.36 8 -0.66 9 -0.73 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 13 1 1 acceptor 1 10 donor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 9 donor 5 6 7 33 34 36 rings 6 1 11 12 13 14 15 rings 6 20 21 23 24 25 26 rings 6 30 31 32 33 34 35 rings 36 3 3 0 0 0 0 0 1 4