1004 1 2 3 4 5 6 7 8 15 8 8 8 8 1 1 1 1 1 1 1 2 3 4 2 3 4 5 6 7 8 1 1 1 2 1 1 1 2 5 10 1 2 3 4 5 6 7 8 0.0936 -0.6464 -0.5406 -0.4998 1.5932 -1.6269 -1.5153 -0.1382 -0.0002 -0.865 -0.5569 1.4936 -0.0714 -0.8815 -0.5509 2.0806 -0.0071 -1.1531 1.3712 -0.159 -0.052 -1.1776 1.482 -0.8567 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000003EC00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -41.7841 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 25.448 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 12553462285593591717 21015797 1 14110500269420899072 5943 1 14324972085540028419 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 83.27 1.17 1.13 1.12 0.61 0.44 0.18 -0.06 -0.04 -0.31 -0.14 -0.33 -0.38 -0.02 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 134.16 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 58.8 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.07.16 1 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 8 1 1.51 2 -0.77 3 -0.77 4 -0.77 5 -0.7 6 0.5 7 0.5 8 0.5 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 5 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 5 1 2 3 4 5 anion 5 0 0 0 0 0 0 0 1 1