8020 1 2 3 4 5 6 7 8 9 10 11 12 13 8 8 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 5 5 3 4 3 5 6 7 8 9 10 11 12 13 1 1 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 1.0353 -1.0533 -0.0003 1.6987 -1.6804 0.4263 -0.4171 2.1455 2.4984 1.0133 -0.9853 -2.0796 -2.5116 0.1609 0.1991 0.9564 -0.6418 -0.6746 1.615 1.5959 -0.014 -1.1922 -1.3655 -1.4419 -0.1102 -1.1723 -0.5918 0.5806 -0.0154 0.3756 -0.3489 0.7492 -0.8012 1.1526 -0.1276 0.8257 -0.7012 -1.1973 0.158 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00001F5400000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 11.5001 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.181 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9295289443160162307 21015797 1 9799416563925218092 29004967 10 18041000677956943705 5943 1 17900011298417934964 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 91.16 2.22 0.99 0.74 0.02 0.07 0 -0.78 0.02 -0.01 0 0 0 -0.18 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 151.379 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 63.1 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 5 2 3 4 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 5 1 -0.56 2 -0.56 3 0.56 4 0.28 5 0.28 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 1 acceptor 1 2 acceptor 5 0 0 0 0 0 0 0 1 1