23235952 1 2 3 4 9 7 7 7 3 1 4 -1 1 2 3 2 3 4 1 2 2 2 -1 1 3 -1 4 3 1 2 5 10 1 2 3 4 -1.5379 -0.6204 0.5448 1.6135 0.4517 -0.5706 -0.1395 0.2583 0 0 0 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 01628D7000000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.0077 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 18410856542528531141 20096714 4 18408887351589484852 21015797 1 18118969332410415958 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 60.1 1.87 0.65 0.5 0.1 0.03 0 -0.35 0 -0.1 0 0.02 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 102.086 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 40.5 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 4 1 -0.01 2 -0.31 3 0.69 4 -0.37 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 0 4 0 0 0 1 0 1 0 1 1