8012 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 4 4 5 5 5 4 15 3 4 6 7 5 8 9 10 11 12 13 14 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 -2.7464 0.0453 1.35 -1.2104 2.5614 0.0284 0.0374 1.3615 1.4124 -1.2388 -1.1974 3.4832 2.5425 2.5932 -3.5857 -0.391 -0.2897 0.5103 0.5796 -0.4093 -0.8921 -0.9934 1.1538 1.1642 1.2602 1.192 0.1802 -1.0494 -1.0509 0.6532 -0.0165 0.0505 0.0076 -0.0129 -0.0287 0.9679 -0.7921 -0.8796 0.8849 0.8443 -0.9205 -0.0549 -0.9166 0.8576 -0.0767 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001F4C00000002 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -0.2225 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 9151173155588645833 14390081 3 10809345554884882183 16714656 1 18409729573385880455 20096714 4 18408323306556540104 29004967 10 15985108513219476270 5460574 1 9295290542687633824 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 106.75 4.25 0.83 0.63 0.45 0.02 0 -0.79 0.06 0.03 0 0.04 -0.01 0.01 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 167.815 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 76.5 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 2 8 6 5 1 3 7 4 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 3 1 -0.41 15 0.18 4 0.23 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 1 1 5 hydrophobe 5 0 0 0 0 0 0 0 1 1