1322 1 2 3 4 5 6 7 8 9 10 11 12 7 7 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 2 3 5 4 6 7 8 9 10 11 12 1 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 -0.5047 0.5046 -1.8073 1.8074 -0.4232 0.4135 -1.947 -1.9502 -2.5938 1.9614 1.9359 2.5936 -0.51 0.5099 0.1424 -0.1423 -1.0621 1.0724 0.789 0.7357 -0.6188 -0.7483 -0.7765 0.6192 -0.0064 -0.0064 0.0064 0.0064 -0.8604 0.8398 -0.8672 0.9164 -0.0128 -0.8933 0.8907 0.0247 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0000052A00000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 1.5969 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 11.445 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 139733 1 9367343738868948224 20096714 4 18336548303991614981 21015797 1 9221500118308487193 5460574 1 9295291642183417856 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 72.36 2.54 0.69 0.57 0 0 0 0 -0.01 0 0 0 0 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 112.723 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 53.2 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2012.02.08 1 3 2 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.02.08 6 1 -0.63 2 -0.63 3 0.27 4 0.27 5 0.36 6 0.36 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 1 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.02.08 2 1 1 donor 1 2 donor 4 0 0 0 0 0 0 0 1 1