136138 1 2 3 4 5 6 7 8 9 10 11 12 14 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 6 2 3 7 4 8 5 9 6 10 6 11 12 2 1 1 1 1 2 1 2 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 -0.1197 1.3991 -1.4722 1.2774 -1.2091 0.1245 -0.19 2.3756 -2.4923 2.2164 -2.0352 0.1645 -1.7484 -0.7235 -0.4864 0.7168 0.8307 1.4107 -2.5649 -1.1899 -0.8526 1.2648 1.5367 2.497 0.0001 0 -0.0001 0 0 0 1.2383 0.0013 0.0001 0 0.0002 0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000213CA00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 11.4864 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 18411149030065217454 18185500 45 18050281466676133367 20096714 4 18410857654893561715 21040471 1 18338517576577296385 23552423 10 16677269465322920886 29004967 10 17974583398254655417 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 141.69 2.07 1.76 0.71 0.46 0.02 0 -0.04 0 -0.08 0 0.14 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 264.848 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 90.1 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