136879 1 2 3 4 5 6 7 8 6 6 6 6 1 1 1 1 1 1 1 2 2 3 3 4 2 3 5 4 6 4 7 8 2 1 1 1 1 2 1 1 2 5 10 1 2 3 4 5 6 7 8 0.7143 0.7148 -0.7149 -0.7142 1.4699 1.471 -1.4711 -1.4698 -0.6732 0.6727 -0.6726 0.6732 -1.4498 1.4485 -1.4485 1.4496 0.0002 -0.0002 -0.0002 0.0002 0.0003 -0.0003 -0.0003 0.0002 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000216AF00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.5787 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 21015797 1 9222967962036600833 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 82.32 1.13 1.07 0.62 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 167.094 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 50.3 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 8 1 -0.15 2 -0.15 3 -0.15 4 -0.15 5 0.15 6 0.15 7 0.15 8 0.15 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 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