11344401 1 2 3 4 5 6 7 8 9 10 11 16 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 5 6 5 6 3 4 7 5 8 6 9 10 11 2 1 2 1 1 1 1 2 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 1.529 -1.2816 -1.2746 -0.095 -0.0294 1.1515 -2.2311 -2.2039 -0.2485 -0.1183 1.9873 0.7438 -0.6099 0.727 -1.4261 1.5061 -0.9409 -1.1373 1.286 -2.5015 2.6022 -1.6331 0.0008 0.0004 0.0005 -0.0004 -0.001 -0.0002 0.0012 0.001 -0.0011 -0.0029 -0.0007 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00AD1A1100000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 12.5864 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 16714656 1 18193848269269954668 18185500 45 18410570695254033702 20096714 4 18267023860179397426 21040471 1 18410575119054634688 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 127.33 1.83 1.71 0.63 0.26 0.02 0 -0.09 0 -0.01 0 0.02 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 240.325 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 75.4 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 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 1 6 1 2 3 4 5 6 rings 6 0 0 0 0 0 0 0 1 1