12232 1 2 3 4 5 6 7 8 9 10 16 16 6 6 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 2 3 4 5 6 7 8 9 10 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 -0.8543 0.8542 -1.857 1.8571 -1.3583 -2.8149 -2.055 1.3585 2.8149 2.0551 -0.6262 -0.6263 0.6262 0.6262 1.5989 0.7197 0.3337 1.5988 0.7195 0.3336 0.5724 -0.5724 -0.2633 0.2633 -0.2396 0.2558 -1.298 0.2396 -0.2559 1.2979 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00002FC800000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -3.9124 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 20096714 4 18411138013146938515 5943 1 15013755574188084483 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 90.02 2.63 1.05 0.87 0 0.03 0 -0.81 0 0 0 0 0.09 0.33 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 123.296 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 72.3 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 3 5 4 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 3 hydrophobe 1 4 hydrophobe 4 0 0 0 0 0 0 0 1 1