223 1 2 3 4 5 7 1 1 1 1 1 1 1 1 1 1 2 3 4 5 1 1 1 1 10 5 2 1 2 3 4 5 0 0.9645 0.0075 -0.5235 -0.4486 0 0.2796 -0.886 -0.1202 0.7266 0 0.2138 -0.5188 0.8751 -0.5701 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000000DF00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 0.2104 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 2012.01.18 260 1 18410856563934756871 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 15.6 0.51 0.51 0.51 0 0 0 0 0 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 14.89 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 15.6 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 2012.01.18 5 1 -0.8 2 0.45 3 0.45 4 0.45 5 0.45 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 2012.01.18 1 1 1 cation 1 0 0 0 0 0 0 0 1 1