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16 44 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 50 1 -0.08 10 -0.57 11 -0.57 12 -0.49 13 0.27 14 0.27 15 0.27 16 0.27 17 0.41 18 0.27 19 -0.14 2 -0.34 21 -0.14 22 -0.15 23 -0.15 24 -0.15 25 0.12 26 1.16 27 0.54 28 0.09 29 -0.15 3 -0.34 31 -0.15 32 0.31 33 -0.15 34 -0.15 35 -0.15 36 0.23 37 0.3 38 -0.15 39 0.44 4 -0.34 40 0.57 41 0.06 5 -0.57 57 0.15 58 0.15 59 0.15 6 -0.57 60 0.37 61 0.15 62 0.15 63 0.15 64 0.15 65 0.15 66 0.15 67 0.37 7 -0.81 8 -0.81 9 -0.55 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 11.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 12 1 10 acceptor 1 12 donor 1 5 acceptor 1 6 acceptor 1 7 cation 1 8 cation 1 9 donor 5 1 11 36 37 39 rings 6 10 32 35 36 37 38 rings 6 19 21 22 23 24 25 rings 6 28 29 30 31 33 34 rings 6 7 8 13 14 15 16 rings 41 0 0 0 0 0 0 0 1 6