6340 1 2 3 4 5 6 7 8 53 6 6 1 1 1 1 1 1 2 2 2 3 3 3 2 3 4 5 6 7 8 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 1.6536 -0.2866 -1.367 -0.4031 -0.4031 -2.3573 -1.2976 -1.2975 0.2325 -0.6501 0.4176 -1.2888 -1.2889 -0.0493 1.0572 1.0572 0 0 0 -0.882 0.882 0 0.8864 -0.8864 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000018C400000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -1.3757 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.773 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 18410856546855127460 21015797 1 18192152822049656719 5460574 1 18410856551303088548 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 73.67 2.4 0.9 0.71 0.35 0.02 0 -0.4 0 -0.01 0 0.13 -0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 97.972 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 60.5 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 2 1 -0.19 2 0.19 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 2 1 1 hydrophobe 3 1 2 3 hydrophobe 3 0 0 0 0 0 0 0 1 1