781 1 2 3 4 16 7 6 1 1 1 2 3 4 3 1 1 3 2 5 10 1 2 3 4 1.5131 -1.3366 -0.1766 1.6975 -0.0002 -0.0003 0.0004 -0.1712 0.0001 0.0001 -0.0001 -1.3171 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000030D00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -0.0063 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 139733 1 18410855473213523748 20096714 4 9078823100311525102 21015797 1 18122344854577178540 5460574 1 18410573972477539334 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 60.61 1.97 0.62 0.62 0.18 0 0 0 0 0.08 0 0.08 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 92.167 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 43.4 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 4 1 -0.22 2 -0.56 3 0.59 4 0.18 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 1 1 2 acceptor 3 0 0 0 0 0 0 0 1 1