8252 1 2 3 4 5 6 7 8 9 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 3 2 4 5 6 3 7 8 9 1 1 1 1 2 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 1.2818 -0.0643 -1.2175 1.8429 1.2188 1.8429 -0.095 -2.1647 -1.239 -0.2031 0.4402 -0.2371 0.1063 -1.2959 0.1063 1.5262 0.2911 -1.3212 0 0 0 -0.8871 0 0.8871 0 0 0 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000203C00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -0.8796 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 18194683666062831237 20096714 4 9367341548351465110 21015797 1 18053099806977617285 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 61.74 1.66 0.71 0.62 0.1 0.02 0 -0.23 0 -0.01 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 97.005 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 44.5 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 6 1 0.14 2 -0.29 3 -0.3 7 0.15 8 0.15 9 0.15 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 0 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 0 3 0 0 0 0 0 0 0 1 1