10903 1 2 3 4 5 6 7 8 9 10 11 12 8 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 2 4 3 5 6 7 8 9 10 11 12 1 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 -0.5233 0.4954 1.8469 -1.8191 0.3995 0.3994 2.6561 1.9543 1.9544 -1.9655 -2.5592 -1.9655 0.4709 -0.5201 0.1619 -0.1127 -1.1496 -1.1496 -0.5738 0.8051 0.8052 -0.7217 0.692 -0.7217 0 0 0 0 0.8917 -0.8917 0 -0.8796 0.8796 -0.8974 0 0.8972 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00002A9700000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 3.8929 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 5.074 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 18410856572719896262 20096714 4 9943514224197353963 21015797 1 17978229683691780326 5460574 1 18410856551065692230 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 76.45 2.52 0.72 0.59 0.11 0.04 0 -0.1 0 -0.03 0 -0.01 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 121.822 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 55.2 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 3 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 3 1 -0.56 2 0.28 4 0.28 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 1 1 1 acceptor 4 0 0 0 0 0 0 0 1 1