6339 1 2 3 4 5 6 9 6 6 1 1 1 1 2 2 3 3 2 3 4 5 6 1 2 1 1 1 2 5 10 1 2 3 4 5 6 1.1723 -0.0063 -1.1659 0.128 -2.1048 -1.1928 0.2149 -0.4334 0.2185 -1.5043 -0.3231 1.302 0 0 0 0 0 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000018C300000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.7088 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 18410856542565512869 21015797 1 17975700811311441095 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 54.46 1.41 0.68 0.58 0 0.05 0 -0.19 0 -0.02 0 -0.05 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 87.037 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 38.5 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 5 1 -0.15 3 -0.3 4 0.15 5 0.15 6 0.15 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 0 3 0 0 0 0 0 0 0 1 1