33645 1 2 3 4 5 6 7 8 9 10 16 16 6 6 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 3 9 3 10 4 5 6 7 8 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 1.4946 -1.4943 0.0002 -0.0005 0.0002 0.8793 -0.8807 -0.0007 1.2371 -1.2362 -0.796 -0.7967 0.0902 1.5025 0.1314 2.0617 2.061 1.5118 -1.9369 -1.9374 0.126 0.1259 -0.41 0.1581 -1.5034 -0.1815 -0.1817 1.2546 -0.53 -0.53 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000836D00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 3.5951 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 9799692597130930935 16714656 1 18123765157370458030 20096714 4 17479184510229315417 21015797 1 9511463290468118092 5943 1 15025490709035660012 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 90.02 1.87 1.51 0.71 0 0.58 0 -0.91 0.14 0 0.12 0 -0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 132.061 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 69 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 -0.41 10 0.18 2 -0.41 3 0.46 9 0.18 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 0 4 0 0 0 0 0 0 0 1 1