66282 1 2 3 4 5 6 7 8 9 10 11 12 13 16 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 4 5 5 2 4 3 6 7 5 8 9 10 11 12 13 1 1 1 1 1 2 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 1.2245 -0.0555 -1.3924 2.6516 -2.4282 0.1745 -0.0489 -1.535 3.5523 2.7808 2.5267 -3.3785 -2.3488 0.7574 -0.4955 0.1573 -0.3452 -0.0739 -1.0453 -1.2049 0.8402 0.2498 -0.9086 -1.0371 0.4216 -0.7546 0.0388 -0.2419 -0.3879 0.1642 0.4268 -1.1602 0.5924 -1.2224 0.3372 -0.7636 1.0013 0.261 1.2673 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 000102EA00000002 Energy MMFF94 NoEstat 7 1.6.0 Szybki openeye.com 2012.01.18 3.4308 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 139733 1 10807932686917355852 14390081 3 12103846747899701290 16714656 1 14129059213943683930 20096714 4 18059293270119861477 29004967 10 18186519895432208864 5460574 1 9655579616842098172 Shape Multipoles 8 1.8.1 OEShape openeye.com 2012.01.18 106.75 3.84 0.84 0.71 0.36 0.08 0 -0.31 0.57 0.23 0 -0.1 0.01 0 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 168.92 Shape Volume 7 1.8.1 OEShape openeye.com 2012.01.18 76.7 Conformer RMSD 7 2009.12.11 0.4 Diverse Conformer ID List 6 2012.02.08 2 3 6 1 5 4 7 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 8 1 -0.46 12 0.15 13 0.15 2 0.37 3 -0.29 4 0.23 5 -0.3 8 0.15 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.01.18 2 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 2 1 4 hydrophobe 1 5 hydrophobe 5 0 0 0 0 0 0 0 1 1