12244237 1 2 3 4 5 6 16 8 8 6 1 1 1 1 1 4 4 2 3 4 5 6 2 2 2 1 1 2 5 10 1 2 3 4 5 6 0.175 0.6601 0.679 -1.5141 -2.2963 -1.8088 -0.0013 -1.2668 1.2568 0.0112 0.0227 0.0089 -0.3717 0.1438 0.1438 0.0842 -0.6882 1.1437 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00BAD50D00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.2336 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 9654415221117189647 20096714 4 18199755915054642865 21015797 1 9437959825749403628 5943 1 11965332338911509967 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 74.43 1.4 1.22 0.65 0.7 0 -0.06 0 0.07 -0.45 0.11 0.01 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 118.303 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 53.3 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 6 1 1.28 2 -0.65 3 -0.65 4 -0.1 5 0.06 6 0.06 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