9233 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 4 4 4 5 5 5 6 6 7 7 3 4 5 8 3 6 7 9 10 11 6 12 13 7 14 15 16 17 18 19 1 1 1 1 1 1 1 1 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 13 14 15 16 17 18 19 -0.0003 0.0002 -0.0002 1.2504 -1.2511 1.2514 -1.2504 -0.0005 0.0004 0.895 -0.8955 2.1563 1.2117 -1.2135 -2.157 1.2142 2.1571 -2.1563 -1.2119 -1.1128 1.1127 -0.0001 -0.7684 -0.7677 0.7678 0.7685 -2.1318 2.1316 -0.0003 0.0001 -1.1455 -1.1796 -1.1798 -1.1435 1.18 1.1433 1.1453 1.1799 -0.3224 -0.3224 -1.3699 0.504 0.5035 0.5032 0.504 -0.714 -0.7141 -2.0007 -2.0005 0.016 1.5177 1.5169 0.0147 1.5165 0.0139 0.0158 1.5176 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000241100000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 19.7761 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 12423570 1 9284973820773407199 137420 1 13564211241433432270 21040471 1 18194138338418189337 29004967 10 15937241364666971425 5943 1 11207681618084019014 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 144.06 1.51 1.31 1.06 0 0 -0.3 0 0.45 0 0.06 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 302.997 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 80.7 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.07.16 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 0 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 1 7 1 2 3 4 5 6 7 rings 7 0 0 0 0 0 0 0 1 1