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9981440 41 17472696304808918112 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 506.61 9.49 5.11 1.01 1.35 5.46 -0.08 -9.63 0.49 -4.35 -0.18 -0.72 0.42 -0.27 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1140.739 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 264.8 Conformer RMSD 7 2012.11.26 0.8 Diverse Conformer ID List 6 2012.11.26 1 6 3 4 5 2 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 39 1 -0.57 10 0.47 11 0.47 12 0.03 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 0.71 2 -0.57 20 -0.15 21 -0.15 22 -0.15 23 0.05 24 -0.15 25 -0.15 26 -0.01 27 0.15 28 0.15 29 0.37 3 -0.28 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.57 5 -0.54 6 -0.01 7 0.12 8 0.09 9 0.09 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 4 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 9 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 donor 5 3 23 24 25 26 rings 6 12 15 16 20 21 22 rings 6 6 7 8 9 10 11 rings 6 8 9 13 14 17 18 rings 26 0 0 0 0 0 0 0 1 4