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0.01 16.69 -0.17 -4.34 -0.2 0.08 0.02 -0.98 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1204.979 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 311.8 Conformer RMSD 7 2012.02.08 1.2 Diverse Conformer ID List 6 2012.02.08 1 33 39 35 20 23 11 40 28 42 38 30 43 36 7 41 32 15 45 44 13 29 37 34 10 18 4 2 17 22 31 19 27 16 21 14 12 9 25 24 6 5 26 8 3 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 38 1 1.33 10 0.37 11 0.09 12 -0.03 13 0.27 15 -0.15 16 -0.15 17 0.14 18 0.14 19 0.2 2 -0.65 20 -0.15 21 -0.14 22 -0.14 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 0.11 29 0.1 3 -0.65 30 0.1 4 -0.81 41 0.15 42 0.15 47 0.15 48 0.15 49 0.42 5 -0.76 50 0.15 51 0.15 52 0.15 53 0.15 6 -0.19 7 -0.19 8 -0.06 9 0.37 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 6.4 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 8 1 2 acceptor 1 3 acceptor 1 4 cation 1 5 donor 5 14 17 18 21 22 rings 6 12 15 16 19 20 23 rings 6 21 22 24 25 26 27 rings 6 4 6 7 8 9 10 rings 28 2 2 0 0 0 0 0 1 1