9260 1 2 3 4 5 6 7 8 9 10 7 7 6 6 6 6 1 1 1 1 1 1 2 2 3 3 3 4 5 6 4 6 5 6 4 5 7 8 9 10 2 1 1 2 1 2 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 1.2035 -1.2063 0.0028 1.1692 -1.1666 -0.0026 0.0048 2.1379 -2.1333 -0.0046 -0.6989 -0.6943 1.387 0.6499 0.6543 -1.298 2.4686 1.1383 1.1465 -2.3812 0 0 0.0001 -0.0001 -0.0001 0.0001 0.0002 -0.0001 -0.0001 0.0001 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000242C00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 13.0497 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 20096714 4 18411421674288461041 21015797 1 9295291637893783780 21040471 1 18338517542265193189 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 113.52 1.53 1.48 0.59 0.01 0 0 0 0 -0.01 0 -0.02 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 231.01 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 63.2 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 -0.62 10 0.15 2 -0.62 3 -0.15 4 0.16 5 0.16 6 0.47 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 1.8.1 OEShape openeye.com 2012.05.21 3 1 1 acceptor 3 1 2 6 cation 6 1 2 3 4 5 6 rings 6 0 0 0 0 0 0 0 1 1