69972 1 2 3 4 5 6 7 8 9 10 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 2 3 5 6 4 7 8 4 9 10 1 1 1 1 1 1 1 2 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 -0.7548 -0.7535 0.7536 0.7547 -1.2072 -1.2079 -1.2051 -1.2058 1.539 1.5412 0.7703 -0.7714 0.6728 -0.6716 1.2226 1.2233 -1.2245 -1.2252 1.4211 -1.4187 0.0003 -0.0003 -0.0003 0.0003 0.8896 -0.8883 -0.8895 0.8883 -0.0006 0.0006 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0001115400000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 4.1803 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 9222417106721816451 20096714 4 18338803286407793032 21015797 1 9295025556095634278 5943 1 10766039579953821274 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 82.32 1.19 1.14 0.62 0 0 0 0 0 0.05 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 156.963 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 52.6 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 0.14 10 0.15 2 0.14 3 -0.29 4 -0.29 9 0.15 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 3 4 rings 4 0 0 0 0 0 0 0 1 1