6428 1 2 3 4 5 6 7 8 17 17 17 9 9 9 6 6 1 2 3 4 5 6 7 7 7 8 7 8 8 8 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 -1.3937 -1.411 1.5275 -1.1759 1.2074 1.2194 -0.7491 0.7754 -1.5948 1.2481 -0.4002 0.3001 1.255 -0.8393 0.0088 0.0223 -0.3825 -1.0442 -1.4827 1.315 0.4482 1.0239 0.0524 0.0699 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000191C00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 2.5866 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 137420 1 15250114363591001270 20096714 4 16082227185584524660 20711978 78 16558479680814561255 21040471 1 18117262667168324157 24536 1 17703788119607744865 29004967 10 17129026263204146291 5084963 1 18051685835356983592 5943 1 15873006620167761697 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 148.42 2.08 1.45 1.35 0.2 0.07 0.1 0.03 0.41 -0.59 0.24 0.24 -0.01 0.09 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 258.975 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 100.7 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 8 1 -0.29 2 -0.29 3 -0.29 4 -0.34 5 -0.34 6 -0.34 7 0.92 8 0.97 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 0 8 0 0 0 0 0 0 0 1 1