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OEChem openeye.com 2012.11.26 36 1 1.45 10 0.36 11 0.37 12 0.37 13 -0.01 14 -0.14 15 0.14 16 0.41 17 -0.15 18 -0.15 19 0.05 2 -0.65 22 -0.15 23 -0.15 24 0.09 25 -0.15 26 0.16 27 -0.15 28 -0.15 29 0.11 3 -0.65 30 0.18 4 -0.02 40 0.15 41 0.15 48 0.15 49 0.15 5 -0.85 50 0.15 51 0.15 52 0.15 53 0.15 6 -0.84 7 -0.62 8 -0.41 9 0.36 Count Effective Rotor 7 1.9.0 OEChem ncbi.nlm.nih.gov 2012.11.26 6.2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 10 1 2 acceptor 1 3 acceptor 1 6 cation 1 7 acceptor 1 8 acceptor 3 15 20 21 hydrophobe 5 4 8 24 27 29 rings 6 13 14 17 18 19 22 rings 6 5 6 9 10 11 12 rings 6 7 16 23 25 26 28 rings 30 0 0 0 0 0 0 0 1 1