79015 1 2 3 4 5 6 7 8 8 6 1 1 1 1 1 1 2 2 3 3 3 6 3 7 4 5 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 -1.1724 1.1725 -0.0001 0 -0.0001 -1.3701 1.3702 -0.2653 -0.2653 0.5306 1.1315 1.2077 -0.4828 -0.4828 0 0 0 -0.9132 0.8604 0.9267 0.9267 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000134A700000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -3.7098 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.38 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 21015797 1 18053098707444922981 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 50 1.35 0.7 0.54 0 0.09 0 -0.24 0 0 0 0 0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 76.054 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 35.7 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 5 1 -0.68 2 -0.68 3 0.56 6 0.4 7 0.4 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 4 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 3 0 0 0 0 0 0 0 1 1