7839 1 2 3 4 5 6 7 8 35 35 6 6 1 1 1 1 1 2 3 3 3 4 4 3 4 4 5 6 7 8 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 2.3064 -2.3065 0.4894 -0.4893 0.4037 0.3867 -0.3865 -0.4036 -0.1219 0.1218 0.5743 -0.5742 1.1943 1.2098 -1.2098 -1.1941 0.014 0.014 -0.014 -0.014 -0.9112 0.8705 0.8705 -0.9112 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001E9F00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.6827 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.149 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9439406830544142820 16714656 1 18260266339056107149 20096714 4 18337390542946865129 29004967 10 16588026805390427168 5460574 1 9223234043850522627 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 94.2 3.78 0.83 0.68 0 0 0 0 -0.04 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 131.782 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 74.2 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 3 2 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 4 1 -0.23 2 -0.23 3 0.23 4 0.23 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 2 1 1 hydrophobe 1 2 hydrophobe 4 0 0 0 0 0 0 0 1 1