6332 1 2 3 4 5 6 7 8 35 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 1.5219 -0.2078 -1.3141 -0.2423 -0.2423 -2.2907 -1.2605 -1.2606 0.2493 -0.6391 0.3898 -1.2681 -1.2681 -0.1043 1.0329 1.0329 0 0 0 -0.8931 0.8931 0 0.885 -0.885 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000018BC00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -1.8444 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 11.09 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 18410856546807680676 21015797 1 18120096344713775247 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 67.68 2.09 0.85 0.66 0.33 0.04 0 -0.38 0 -0.04 0 0.06 -0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 93.291 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 54.2 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 2 1 -0.23 2 0.23 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 2 1 1 hydrophobe 3 1 2 3 hydrophobe 3 0 0 0 0 0 0 0 1 1