79637 1 2 3 4 5 6 7 8 9 10 7 6 6 6 6 1 1 1 1 1 1 2 2 2 2 3 3 3 4 4 5 3 4 5 6 4 7 8 9 10 3 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 2.1074 -0.3517 -1.3813 -1.3815 1.0071 -0.4803 -1.0825 -2.1703 -2.1705 -1.0826 -0.0001 0.0001 0.7503 -0.7503 0 0.0003 1.2522 1.2538 -1.2537 -1.2526 -0.2498 0.5724 -0.2204 -0.2203 0.1181 1.6504 -1.133 0.3253 0.3257 -1.1327 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0001371500000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 6.1669 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 15430033253507395506 16714656 1 18410575084963746405 20096714 4 17603866659001948076 21015797 1 10014994626507676955 21040471 1 18194391204570268529 29004967 10 16415479388965592058 5460574 1 9655580707758510096 5943 1 11194160799380770707 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 97.92 2.34 0.84 0.7 1.02 0 -0.04 0 0.34 -0.34 0.04 -0.04 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 184.431 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 60.3 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 9 1 -0.56 10 0.1 3 -0.2 4 -0.2 5 0.45 6 0.1 7 0.1 8 0.1 9 0.1 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.6 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 1 1 1 acceptor 5 0 0 0 0 0 0 0 1 1