6564 1 2 3 4 5 6 7 8 9 10 11 17 17 6 6 6 1 1 1 1 1 1 1 2 3 3 3 4 4 5 5 5 3 4 4 5 6 7 8 9 10 11 1 1 1 1 1 1 1 1 1 1 3 1 4 5 6 3 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 -1.2275 1.9195 -0.6179 0.8671 -0.9412 -1.1765 1.2082 1.0427 -0.4991 -2.0244 -0.5706 1.3536 0.1738 -0.1547 -0.0329 -1.3398 -0.2709 -0.9329 0.821 -1.2366 -1.4437 -2.2715 0.2707 0.6005 -0.4756 -0.822 0.4265 -1.4108 -1.3438 -1.4845 1.4228 0.5549 -0.0139 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000019A400000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 2.4668 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 11094794153659559070 20096714 4 17842837724491815881 21040471 1 18193288398575956517 23552449 11 17402333066980066531 24536 1 18409729581991574516 5943 1 11212572933067731911 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 106.64 2.12 1.37 0.93 0.96 0.03 0.06 -0.38 -0.44 -0.77 -0.26 0.17 0.03 0.07 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 166.005 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 77.8 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 3 6 2 4 5 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 4 1 -0.29 2 -0.29 3 0.29 4 0.29 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 0 5 1 0 1 0 0 0 0 1 1