713 1 2 3 4 5 6 8 7 6 1 1 1 1 2 2 2 3 3 3 4 5 6 2 1 1 1 1 2 5 10 1 2 3 4 5 6 1.128 -1.1878 0.0598 -1.3085 -2.0305 -0.0014 0.2091 0.1791 -0.3882 1.1864 -0.3861 -1.4883 0 0 0 0.0001 -0.0001 -0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000002C900000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.0328 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 18410856568235096357 21015797 1 18047756184745781958 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 50.89 1.35 0.63 0.55 0.08 0.06 0 -0.17 0 -0.01 0 0 0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 82.114 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 35.3 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 -0.57 2 -0.8 3 0.57 4 0.37 5 0.37 6 0.06 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 1 acceptor 1 2 donor 3 0 0 0 0 0 0 0 1 2