9250 1 2 3 4 5 6 7 8 9 10 11 12 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 2 3 5 6 4 7 8 4 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 0.1277 -1.0561 1.0559 -0.1276 0.1638 0.2351 -1.3548 -1.9437 1.9437 1.3546 -0.2349 -0.1636 -1.056 -0.1276 0.1277 1.0559 -1.3547 -1.9436 -0.1637 -0.2349 0.235 0.1638 1.9437 1.3546 0.1716 -0.1716 -0.1717 0.1717 1.2256 -0.4564 -1.2255 0.4565 0.4563 -1.2256 -0.4563 1.2256 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000242200000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 10.2833 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 139733 1 8646777689593707742 21015797 1 9294416426632740868 5943 1 12864386048997726562 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 82.32 1.18 1.18 0.65 0 0 0 0 -0.1 0 0.1 0 0 -0.01 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 150.926 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 54.5 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 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 0.8 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 1 4 1 2 3 4 rings 4 0 0 0 0 0 0 0 1 1