8254 1 2 3 4 5 6 7 8 9 8 6 6 1 1 1 1 1 1 1 1 2 2 2 3 3 3 2 3 4 5 6 7 8 9 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 0 1.175 -1.175 1.2129 2.0436 1.2129 -1.2129 -1.2128 -2.0436 0.533 -0.2665 -0.2665 -0.8918 0.3974 -0.8918 -0.8918 -0.8919 0.3974 0 0 0 0.8972 0 -0.8972 0.8973 -0.8973 -0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000203E00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 6.0891 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 18410856563934789348 20096714 4 9367340448818790286 21015797 1 18052817236757859399 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 55.87 1.6 0.71 0.58 0 0.01 0 0.23 0 0 0 0 0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 84.008 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 42.3 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 3 1 -0.56 2 0.28 3 0.28 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 1 1 1 acceptor 3 0 0 0 0 0 0 0 1 1