186148 1 2 3 4 5 6 7 8 9 10 11 12 8 6 6 6 6 6 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 5 5 6 2 6 3 7 8 4 9 5 10 6 11 12 1 1 1 1 1 2 1 1 1 2 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 -1.432 -0.6736 0.8233 1.4155 0.5994 -0.7327 -0.9814 -0.9815 1.4246 2.4938 1.0816 -1.403 0.0448 1.2691 1.1316 -0.0671 -1.2463 -1.1321 1.839 1.8394 2.0352 -0.17 -2.2166 -1.9799 -0.0001 0.0001 0 -0.0001 0.0001 0 0.8837 -0.883 -0.0002 -0.0002 0.0002 0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0002D72400000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 10.8972 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.148 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 16714656 1 18338248162180008932 20096714 4 18338801241960954266 21015797 1 9295282846158999910 21040471 1 18266741268511293732 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 117.61 1.6 1.56 0.6 0.01 0 0 0.05 0 0.05 0 0 -0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 233.54 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 69.4 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 10 1 -0.36 10 0.15 11 0.15 12 0.15 2 0.42 3 -0.29 4 -0.15 5 -0.15 6 -0.07 9 0.15 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.4 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 1 acceptor 6 1 2 3 4 5 6 rings 6 0 0 0 0 0 0 0 1 1