17801328 1 2 3 4 5 6 8 8 8 8 6 6 1 1 2 2 3 4 5 6 5 6 5 6 1 1 1 1 2 2 2 5 10 1 2 3 4 5 6 0.0001 0 2.1387 -2.1387 0.9299 -0.9299 0.9703 -0.9702 0 0 0 0 0.0001 0.0001 0.0001 0.0002 0 -0.0004 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 010FA07000000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 8.9957 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 9295289438865233985 20096714 4 18337954596543383688 21015797 1 9294126159857975312 21040471 1 18410856568235050883 29004967 10 18260556614457685187 5460574 1 9223235147657117696 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 100 2.25 0.82 0.54 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 209.489 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 53 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 6 1 -0.3 2 -0.3 3 -0.57 4 -0.57 5 0.87 6 0.87 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.4 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 1 4 1 2 5 6 rings 6 0 0 0 0 0 0 0 1 1