9264 1 2 3 4 5 6 7 8 9 10 11 12 16 16 16 6 6 6 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 4 5 4 6 5 6 7 8 9 10 11 12 1 1 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 0.2051 1.3982 -1.6033 1.4657 -1.2782 -0.1874 1.3919 2.445 -2.1323 -1.2138 -0.178 -0.3127 1.733 -1.0441 -0.6889 0.6297 0.9544 -1.584 0.5978 1.0504 1.5921 0.9062 -1.5038 -2.6426 0.3454 0.3456 0.3456 -0.3455 -0.3455 -0.3457 -1.437 -0.0998 -0.0998 -1.4369 -1.4371 -0.1003 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000243000000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 7.6613 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 5.074 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 16714656 1 18194135228787910132 18185500 45 18194962065695193458 20096714 4 17979924031110352050 21040471 1 17113259395284353649 241688 4 16537358788236148961 24536 1 17906171754620029518 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 135.03 2.07 2.07 0.78 0.05 0.25 -0.03 -0.25 -0.06 -0.05 -0.06 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 213.827 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 94.4 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 3 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 6 1 -0.46 2 -0.46 3 -0.46 4 0.46 5 0.46 6 0.46 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1.2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 1 6 1 2 3 4 5 6 rings 6 0 0 0 0 0 0 0 1 1