5196 1 2 3 4 5 6 7 8 9 10 8 7 7 7 6 1 1 1 1 1 1 2 2 2 3 3 4 4 4 5 3 5 6 7 8 5 9 10 2 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 -0.5543 0.7054 1.9111 -1.5878 -0.4744 0.7123 2.4307 2.4305 -1.5023 -2.5261 1.3037 -0.6517 0.0179 -0.7458 0.0759 -1.6662 -0.308 -0.3081 -1.7566 -0.36 0 -0.0001 0.0001 0.0001 -0.0001 -0.0002 -0.8139 0.8142 0.0001 0.0003 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000144C00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 5.7458 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 21.864 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9295301533625099267 20096714 4 17977668602175876224 21015797 1 9655276151569567435 5943 1 13774756980961221145 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 82.09 1.91 1.03 0.53 0.63 0.28 0 -0.33 0 -0.27 0 -0.01 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 145.572 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 53.6 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 10 1 -0.57 10 0.37 2 -0.42 3 -0.73 4 -0.8 5 0.69 6 0.37 7 0.36 8 0.36 9 0.37 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 4 1 1 acceptor 1 2 donor 1 3 donor 1 4 donor 5 0 0 0 0 0 0 0 1 3