6433386 1 2 3 4 5 6 7 8 9 35 17 6 6 6 1 1 1 1 1 2 3 3 3 4 4 5 3 5 4 6 7 5 8 9 1 1 1 1 1 2 1 1 4 3 8 5 9 2 2 1 2 5 10 1 2 3 4 5 6 7 8 9 2.56 -2.6455 1.2693 -0.0505 -1.1334 1.2592 1.6354 -0.1192 -1.1553 -0.7121 -0.4336 0.7403 0.1808 0.2246 1.2003 1.4623 -0.2701 0.6595 -0.0781 0.0772 -0.0097 0.3959 -0.3852 -1.0016 0.7244 1.3835 -1.3755 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00622A6A00000002 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.5917 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 7997962484019263464 14390081 3 8142084260300878775 16714656 1 16732703852476912075 20096714 4 10737296740065828382 23552449 11 18272078414275201872 29004967 10 18343581841420057714 5460574 1 9295292741716170624 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 110.71 4.17 0.92 0.71 0.37 0.03 0 1.33 -0.09 -0.28 0 -0.01 0.01 0.06 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 172.78 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 81.3 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 2 3 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 7 1 -0.23 2 -0.14 3 0.37 4 -0.29 5 -0.01 8 0.15 9 0.15 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 1 1 1 hydrophobe 5 0 0 0 1 1 0 0 1 1