68030 1 2 3 4 5 6 7 8 9 10 11 9 9 9 9 9 6 6 6 1 1 1 1 2 3 4 5 6 6 6 6 8 7 7 7 8 8 7 8 9 10 11 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 1.1068 1.3166 2.1341 -1.5162 -2.5325 -0.207 1.0961 -1.3979 -0.343 -0.1676 -1.3346 -1.2303 0.1199 0.6779 -1.1956 0.7271 0.7383 0.0666 0.0962 0.6842 1.8016 0.1319 0.3894 -1.315 0.6282 0.0972 0.0972 0.3847 0.0157 -0.2973 1.4707 0.1247 -1.3883 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000109BE00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 6.8045 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 20096714 4 18411136926673238945 21040471 1 18336267859991515793 24536 1 17313108561520970027 29004967 10 18410294726451835441 5460574 1 8070028887051050241 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 128.27 2.73 1.03 0.81 0.73 0.23 -0.21 -0.34 0.09 0.09 0.16 -0.3 -0.02 0.04 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 245.122 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 79.6 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 2 3 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 7 1 -0.34 2 -0.34 3 -0.34 4 -0.34 5 -0.34 7 1.02 8 0.68 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 0 8 0 0 0 0 0 0 0 1 1