7858 1 2 3 4 5 6 7 8 9 10 8 6 6 6 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 2 10 3 5 6 4 7 8 9 1 1 1 1 1 2 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 -1.6866 -0.6492 0.5993 1.7364 -0.5357 -0.9503 0.5734 2.6117 1.815 -1.4343 -0.3884 0.5821 -0.052 -0.1417 0.9776 1.4038 -0.4584 -0.6133 0.2496 -1.0887 -0.0862 -0.0832 0.434 -0.2646 -1.0975 0.5733 1.4416 0.1688 -1.2729 -0.7125 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001EB200000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.1363 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 15.223 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 11025795392385197257 20096714 4 7925623414841192086 21015797 1 12102972674910408824 5460574 1 9079118860117113322 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 76.45 2.15 0.72 0.67 0.03 0.05 0.03 -0.27 -0.25 -0.09 -0.01 0.09 0 -0.01 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 127.049 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 52.6 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 3 2 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 8 1 -0.68 10 0.4 2 0.42 3 -0.29 4 -0.3 7 0.15 8 0.15 9 0.15 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 3 1 1 acceptor 1 1 donor 1 4 hydrophobe 4 0 0 0 0 0 0 0 1 1