67940 1 2 3 4 5 6 7 8 9 10 11 9 9 9 9 9 9 9 6 6 6 1 1 2 3 4 5 6 7 8 8 8 8 9 9 9 10 10 10 9 10 11 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 0.0006 1.3542 2.3514 1.296 -2.365 -1.2853 -1.3469 -0.0007 1.2578 -1.2622 0.0001 1.8238 -1.3985 0.5386 -0.1809 0.5354 -0.1976 -1.3935 0.5369 -0.1338 -0.1304 0.5732 0.0877 0.5013 0.4592 -1.3099 0.4425 -1.3076 0.5132 0.5346 0.0381 0.0409 1.6282 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0001096400000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 4.9763 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 12423570 1 9187272793787621086 137420 1 11157037240604090480 18185500 45 18408323280596773970 21040471 1 18335709290841433009 24536 1 18269831068105193105 29004967 10 18409451405296585112 5084963 1 17096941165243492915 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 154.88 2.5 1.24 0.93 0.01 0.11 0.32 -0.05 -0.19 0 -0.21 0 -0.11 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 311.395 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 91.7 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 10 1 -0.34 10 1.02 2 -0.34 3 -0.34 4 -0.34 5 -0.34 6 -0.34 7 -0.34 8 0.34 9 1.02 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 0 10 0 0 0 0 0 0 0 1 1