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18272374204420043524 653340 110 18194402178259981721 6786 2 13087259169441552398 7064713 232 18411696621205032330 9777508 108 17759522166584149005 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 491.01 10.88 2.35 1.52 5.07 0.68 -0.13 -4.16 4.67 0.48 0.05 -1.31 -0.46 -0.01 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1038.502 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 271.9 Conformer RMSD 7 2009.12.11 0.8 Diverse Conformer ID List 6 2010.05.05 1 2 3 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 12 1 -0.68 11 0.28 14 0.06 2 -0.68 23 0.28 24 0.45 25 0.34 3 -0.57 4 -0.68 55 0.4 58 0.4 59 0.4 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 2012.05.21 11 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 1 3 acceptor 1 4 acceptor 1 4 donor 5 7 8 14 15 17 rings 6 5 6 7 8 11 12 rings 6 5 6 9 10 13 16 rings 6 9 10 18 19 22 23 rings 25 9 9 0 0 0 0 0 1 4