7293 1 2 3 4 5 6 7 8 9 10 11 12 13 14 8 7 7 6 6 6 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 5 5 5 6 6 6 4 4 5 7 4 6 8 9 10 11 12 13 14 2 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 -0.0046 1.1501 -1.1484 -0.0006 2.4842 -2.4806 1.0509 -1.0483 2.8541 3.1219 2.4828 -2.807 -3.1451 -2.4907 1.3641 -0.6502 -0.6546 0.1339 -0.0961 -0.0972 -1.6598 -1.6638 -0.0949 -0.7331 0.9239 0.012 -0.7882 0.8782 -0.0001 -0.0001 -0.0001 0.0002 0.0001 0.0001 -0.0397 0.0444 -1.0282 0.6174 0.3919 1.0373 -0.5236 -0.4926 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001C7D00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.5575 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.274 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9223231844827293059 16714656 1 18413672391802062310 20096714 4 18267305520145604933 29004967 10 18335988626771566459 5460574 1 9223232944412897283 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 107.65 3.31 0.95 0.57 0.01 0.27 0 -0.44 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 189.479 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 71.6 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 8 1 -0.57 2 -0.73 3 -0.73 4 0.69 5 0.3 6 0.3 7 0.37 8 0.37 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 3 1 1 acceptor 1 2 donor 1 3 donor 6 0 0 0 0 0 0 0 1 2