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38 2 7 30 6 10 3 4 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 47 1 -0.34 11 -0.14 12 0.31 13 0.62 15 -0.15 16 -0.15 18 -0.15 19 -0.15 2 -0.34 20 -0.15 21 -0.15 22 -0.15 23 -0.15 25 -0.15 26 -0.15 27 -0.14 28 -0.15 29 -0.15 3 -0.34 30 -0.15 31 1.16 32 0.16 33 -0.15 34 0.16 37 0.4 38 0.15 39 0.15 4 -0.87 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.62 50 0.15 51 0.15 52 0.15 53 0.15 6 -0.62 7 -0.62 8 0.51 9 0.41 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 6 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 9 1 4 donor 1 7 acceptor 3 4 5 9 cation 3 5 6 13 cation 6 10 12 18 21 25 26 rings 6 11 15 16 17 19 20 rings 6 14 22 23 27 28 29 rings 6 5 6 9 10 12 13 rings 6 7 24 30 32 33 34 rings 34 0 0 0 0 0 0 0 1 3