7860 1 2 3 4 5 6 8 8 6 6 1 1 1 2 3 3 4 3 4 4 5 6 2 2 1 1 1 2 5 10 1 2 3 4 5 6 -1.7048 1.7049 -0.6235 0.6234 -0.4741 0.4741 0.1501 -0.1501 -0.4105 0.4105 -1.5013 1.5014 0 0 0 0 -0.0009 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001EB400000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.0982 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.149 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 18410856555497803079 20096714 4 8502365637873890134 21015797 1 18194402427103346733 5460574 1 18410856551049854980 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 70.58 2 0.67 0.56 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 122.65 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 46.2 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 3 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 6 1 -0.57 2 -0.57 3 0.51 4 0.51 5 0.06 6 0.06 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 2 1 1 acceptor 1 2 acceptor 4 0 0 0 0 0 0 0 1 1