1140 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 5 6 6 7 2 3 4 5 8 6 9 10 11 12 7 13 7 14 15 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 -0.9825 -0.285 -0.2852 -2.4741 1.1099 1.1097 1.8072 -0.8169 -0.8172 -2.8694 -2.8694 -2.8495 1.6531 1.6529 2.8933 0 1.2079 -1.2079 0.0001 1.208 -1.208 0 2.1557 -2.1556 -0.8801 0.8808 -0.0004 2.1484 -2.1485 -0.0001 0.0001 0.0001 0 -0.0002 -0.0001 0 -0.0001 -0.0017 -0.0018 0.5183 0.5175 -1.0283 -0.0007 -0.0005 -0.0004 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000047400000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 15.7582 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 5.074 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 18185500 45 18413384328366638015 20096714 4 18339361984295884682 21040471 1 18194683889253307648 23552423 10 17829059714530854086 29004967 10 18334299751283819633 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 144.06 2.47 1.45 0.62 1.07 0 0 0 0 -0.34 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 294.076 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 80.1 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 12 1 -0.14 13 0.15 14 0.15 15 0.15 2 -0.15 3 -0.15 4 0.14 5 -0.15 6 -0.15 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 1 6 1 2 3 5 6 7 rings 7 0 0 0 0 0 0 0 1 1