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2019.06.18 37 1 1.33 12 0.36 13 -0.19 14 -0.18 15 0.27 16 0.27 17 0.37 18 -0.2 19 -0.2 2 -0.68 20 0.54 21 -0.33 23 -0.15 24 0.28 25 -0.15 26 -0.15 27 0.11 28 -0.15 29 0.08 3 -0.65 30 0.28 37 0.1 4 -0.65 44 0.1 45 0.1 46 0.1 47 0.1 49 0.27 5 -0.36 52 0.15 53 0.15 57 0.15 58 0.4 6 -0.81 7 -0.85 8 0.03 9 0.18 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 7.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 12 1 2 acceptor 1 2 donor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 cation 1 8 cation 1 8 donor 5 8 14 21 22 23 rings 6 22 23 25 26 28 29 rings 6 6 9 10 11 15 16 rings 6 7 9 12 14 20 21 rings 30 1 1 0 0 0 0 0 1 1