151080 1 2 3 4 5 6 7 8 9 10 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 2 3 5 6 3 4 7 8 9 10 1 1 1 1 2 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 0.9625 -0.223 0.9157 -1.6552 1.2319 1.2324 1.4513 -2.0025 -2.1277 -2.003 0.7277 -0.0714 -0.7012 0.0449 1.2109 1.2108 -1.6161 0.5856 -0.9419 0.5841 0 -0.0002 0.0001 0.0001 0.9257 -0.9256 0.0007 0.8855 0.0011 -0.8861 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00024E2800000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 32.7329 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 0 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9294700104991159778 20096714 4 18341051942252676609 21015797 1 9365614194146081938 5943 1 10082817709114337340 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 82.32 1.75 0.87 0.62 0.72 0.01 0 0.05 0 -0.24 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 153.865 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 53.4 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 7 1 -0.12 2 -0.18 3 -0.19 4 0.14 5 0.1 6 0.1 7 0.15 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0.2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 0 4 0 0 0 0 0 0 0 1 1