6382 1 2 3 4 5 35 35 9 9 6 1 2 3 4 5 5 5 5 1 1 1 1 2 5 10 1 2 3 4 5 -1.6149 1.6142 0.0004 0.0003 0.0001 -0.9731 -0.974 0.9199 0.9205 0.1067 -0.0001 -0.0002 1.088 -1.0877 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000018EE00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.0335 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 16.539 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9223231849122611139 16714656 1 17897440593092835183 21015797 1 9005949539516966274 29004967 10 17822581597856382458 5943 1 9996161520989398404 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 100.23 2.01 1.3 0.95 0 0.04 0 1.09 0 0 0 0 -0.28 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 153.548 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 75.9 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 5 1 -0.23 2 -0.23 3 -0.34 4 -0.34 5 1.14 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 3 1 1 hydrophobe 1 2 hydrophobe 3 1 2 5 hydrophobe 5 0 0 0 0 0 0 0 1 1