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Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 490.56 14.33 3.19 1 6.75 1.32 -0.24 -1.59 2.65 -2.7 0.68 0.48 -0.03 -1.78 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1065.031 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 268.2 Conformer RMSD 7 2009.12.11 0.8 Diverse Conformer ID List 6 2012.02.08 4 23 13 29 19 26 3 30 15 5 16 9 18 24 25 28 11 14 20 6 27 22 12 8 17 1 21 2 10 7 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.02.08 32 1 -0.18 10 0.37 11 0.1 12 0.41 14 0.08 15 -0.15 16 0.31 17 -0.15 18 -0.15 19 -0.15 2 -0.36 20 -0.15 21 0.8 22 -0.15 23 -0.15 24 -0.15 25 0.28 3 -0.84 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.84 40 0.15 41 0.15 5 -0.62 6 -0.62 7 0.37 8 0.37 9 0.37 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 4.2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.02.08 8 1 2 acceptor 1 3 cation 3 4 5 12 cation 3 5 6 21 cation 6 11 14 15 18 19 20 rings 6 13 16 17 22 23 24 rings 6 3 4 7 8 9 10 rings 6 5 6 12 13 16 21 rings 25 0 0 0 0 0 0 0 1 1