11970569 1 2 3 4 5 6 7 8 8 6 6 6 1 1 1 1 1 1 2 2 2 3 3 4 2 4 3 5 6 4 7 8 1 1 1 1 1 2 1 1 2 5 10 1 2 3 4 5 6 7 8 -0.158 1.0325 0.0556 -0.9301 1.6371 1.6378 0.1226 -2.0129 -0.9522 -0.1288 1.0022 0.0788 -0.2764 -0.2765 2.0796 0.1904 0.0002 -0.0002 0.0002 -0.0002 -0.9001 0.8993 0.0003 -0.0004 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00B6A80900000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 5.3224 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 21015797 1 9221216444319122437 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 76.45 1.12 1.04 0.59 0.08 0.07 0 -0.02 0 -0.03 0 0 0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 149.839 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 47.9 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 6 1 -0.33 2 0.4 3 -0.29 4 -0.07 7 0.15 8 0.15 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.4 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 1 acceptor 4 1 2 3 4 rings 4 0 0 0 0 0 0 0 1 1