6377 1 2 3 4 5 6 7 8 9 10 11 7 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 4 2 3 8 3 4 5 6 7 9 10 11 1 1 1 1 1 1 1 1 1 1 1 2 1 3 4 5 3 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 0.8577 -0.2419 0.9357 -1.5515 -0.327 1.6705 0.8268 1.4593 -2.1247 -2.1341 -1.4496 -0.7404 0.0046 0.7147 0.0211 -0.0478 1.1497 1.1883 -1.1219 0.9039 -0.866 0.0407 0.1261 -0.4736 0.1272 0.2203 -1.5505 -0.5359 1.0928 -0.6032 -0.0803 -0.0485 1.3109 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000018E900000002 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 6.4113 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 10447342333602321186 20096714 4 18059576965557877465 21015797 1 8716346036630014950 5943 1 12491595102729079676 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 77.34 1.63 0.84 0.68 0.53 0 -0.03 -0.1 0.18 -0.2 0.03 0.04 -0.01 -0.01 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 136.887 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 52.3 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 2 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 8 1 -0.68 2 -0.04 3 -0.04 4 0.09 5 0.1 6 0.1 7 0.1 8 0.36 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.6 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 1 cation 1 1 donor 4 1 0 1 0 0 0 0 1 1