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-8.08 4.48 -5.96 0.88 3.12 3.95 -4.82 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1524.856 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 371.9 Conformer RMSD 7 2011.09.13 1 Diverse Conformer ID List 6 2012.02.08 1 4 12 18 30 40 23 2 29 39 20 13 22 32 34 17 7 16 28 15 14 11 35 6 38 37 8 5 25 36 24 19 26 27 31 3 9 10 33 21 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 46 1 -0.34 14 0.42 15 0.57 16 0.3 17 0.12 18 0.18 19 0.09 2 -0.34 20 0.54 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 0.09 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.34 30 -0.14 31 -0.15 32 -0.15 33 1.16 34 -0.15 35 -0.15 36 -0.15 4 -0.57 46 0.37 48 0.15 49 0.15 5 -0.57 50 0.15 51 0.15 52 0.15 53 0.15 54 0.15 55 0.15 56 0.15 57 0.15 58 0.15 59 0.15 6 -0.73 60 0.15 7 -0.48 8 -0.63 9 0.3 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 8.4 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 9 1 4 acceptor 1 5 acceptor 1 6 donor 1 8 acceptor 5 9 10 11 12 13 rings 6 17 18 21 22 26 27 rings 6 19 23 24 28 29 30 rings 6 25 31 32 34 35 36 rings 6 7 8 14 16 17 18 rings 36 1 0 1 0 0 0 0 1 5