82267 1 2 3 4 5 6 7 8 9 16 8 8 7 7 1 1 1 1 1 1 1 1 4 4 5 5 2 3 4 5 6 7 8 9 2 2 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 0.0001 0.0007 0.0001 1.3107 -1.3116 2.2234 1.4024 -2.2239 -1.4043 -0.1566 -0.9136 -0.8269 0.9492 0.9479 0.5484 1.5552 0.5463 1.5538 0.0042 -1.2324 1.29 -0.0306 -0.0312 -0.2857 0.796 -0.2868 0.7954 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0001415B00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 6.474 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.159 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 14686448967344381706 21015797 1 15431749694190193546 5943 1 11111546467423112226 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 85.05 1.19 1.16 1.11 0 0.07 0.03 0.59 -0.01 0 -0.02 0 -0.48 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 138.379 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 59.8 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 9 1 1.58 2 -0.65 3 -0.65 4 -0.98 5 -0.98 6 0.42 7 0.42 8 0.42 9 0.42 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 2 1 4 donor 1 5 donor 5 0 0 0 0 0 0 0 1 1