67707 1 2 3 4 5 35 35 35 9 6 1 2 3 4 5 5 5 5 1 1 1 1 2 5 10 1 2 3 4 5 1.2358 -1.8218 0.586 0.0001 -0.0001 1.3899 0.375 -1.7653 0.0002 0.0001 -0.5176 -0.5174 -0.5172 1.4571 0.0952 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0001087B00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.0566 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 21.234 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 11533062731397142159 16714656 1 17617942877543942055 20096714 4 17896308280705172917 24536 1 18193533633066990629 29004967 10 18049167670060931927 5943 1 14572933922066268186 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 113.45 1.89 1.89 1.09 0.93 0.64 0.31 -0.64 -0.47 -0.93 -0.47 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 162.555 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 90.1 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 5 1 -0.23 2 -0.23 3 -0.23 4 -0.34 5 1.03 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 4 1 1 hydrophobe 1 2 hydrophobe 1 3 hydrophobe 4 1 2 3 5 hydrophobe 5 0 0 0 0 0 0 0 1 1