123046 1 2 3 4 5 6 7 8 9 10 11 15 6 6 6 6 6 1 1 1 1 1 1 1 2 2 2 3 3 4 4 5 6 5 6 3 4 7 5 8 6 9 10 11 2 1 2 1 1 1 1 2 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 1.6913 -1.4079 -1.0602 -0.4526 0.3537 0.8757 -2.4582 -1.8078 -0.8677 0.5428 1.5206 0.3727 -0.2712 1.0195 -1.3506 1.4247 -1.1951 -0.5459 1.8041 -2.3549 2.5094 -2.0672 0.0002 0.0001 -0.0001 0 -0.0001 -0.0002 0.0004 0 -0.0001 -0.0001 -0.0003 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0001E0A600000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 13.7211 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 18338244876498404900 18185500 45 16610258161678453638 20096714 4 18122908629132776074 21040471 1 18410575054656492512 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 127.33 1.86 1.69 0.63 0.3 0.05 0 -0.09 0 -0.03 0 0.02 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 240.166 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 75.6 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 11 1 -0.37 10 0.06 11 0.15 2 -0.15 3 -0.14 4 -0.15 5 0.17 6 -0.03 7 0.15 8 0.15 9 0.15 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