10962 1 2 3 4 5 6 7 8 9 10 11 12 13 14 53 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 4 4 5 5 5 4 3 4 6 7 5 8 9 10 11 12 13 14 1 1 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 13 14 2.9536 -0.0784 -1.3984 1.1166 -2.5934 -0.0383 -0.0388 -1.4621 -1.4397 1.0891 1.0724 -2.5998 -3.5259 -2.577 0.4249 0.2826 -0.4891 -0.6693 0.4509 0.9121 0.9573 -1.1416 -1.1327 -1.3317 -1.3034 1.0897 -0.1219 1.094 0.0076 -0.0226 -0.0014 0.0044 0.012 -0.9204 0.842 -0.88 0.885 -0.868 0.897 -0.8769 0.0255 0.8976 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00002AD200000001 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 -1.8157 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 10.149 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 14390081 3 18343862225390926000 16714656 1 18060420230957349420 29004967 10 13117996691226338292 5460574 1 9295289443176006054 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 114.83 4.84 0.9 0.68 0.66 0 0 -1.03 -0.03 0.11 0 0.17 -0.02 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 173.68 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 86.3 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2010.05.05 1 6 7 2 3 5 4 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 2 1 -0.19 4 0.19 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 2 1 1 hydrophobe 1 5 hydrophobe 5 0 0 0 0 0 0 0 1 1