1060 1 2 3 4 5 6 7 8 9 10 8 8 8 6 6 6 1 1 1 1 1 1 2 3 4 4 5 5 5 6 10 4 6 5 6 7 8 9 1 1 2 2 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 -1.4581 1.0591 -1.194 0.7111 1.6443 -0.7624 1.481 2.6775 1.4842 -2.4268 -0.9961 -1.3165 1.2825 -0.1452 1.0273 0.148 1.6386 0.6689 1.6204 -0.8423 0.0082 -0.0143 -0.018 -0.0001 0.01 0.0141 -0.881 0.0045 0.9138 -0.0073 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000042400000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 6.9451 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 20.366 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9294750678389215307 16714656 1 17978517760281313748 20096714 4 18338801087373949008 21015797 1 9223239545714191302 21040471 1 18266458706902666884 24536 1 18338783538105773120 29004967 10 18117567446758928259 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 105.87 1.95 1.37 0.57 0.17 0.04 0 -0.22 0 0 0.01 0.03 -0.02 0.01 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 198.299 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 65.9 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 7 1 -0.65 10 0.5 2 -0.57 3 -0.57 4 0.51 5 0.06 6 0.72 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 4 1 1 acceptor 1 2 acceptor 1 3 acceptor 3 1 3 6 anion 6 0 0 0 0 0 0 0 1 2