aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42911 | 2.61 | 299.3 | C13H11O3NF2S | O=S(=O)(Cc1cccc(F)c1F)Nc1ccc(O)cc1 |
|
AD42912 | 1.91 | 322.35 | C17H16O2N5 | O=C(c1ccc(Nc2ncnc3c2C=C[N]3)cc1)N1CCOCC1 |
|
AD42913 | 2.7 | 365.15 | C13H10ON4I | OCc1ccc(Nc2ncnc3c2C(I)=C[N]3)cc1 |
|
AD42914 | 2.23 | 366.14 | C12H9ON5I | OCc1ccc(Nc2nc(I)nc3c2N=C[N]3)cc1 |
|
AD42915 | 2.6 | 360.19 | C14H12ON6Br | CCNC(=O)c1ccc(Nc2ncnc3c2N=C(Br)[N]3)cc1 |
|
AD42916 | 3.16 | 328.38 | C15H14O2N5S | CC(=O)OCc1cccc(C)c1Nc1[nH]c(=S)nc2c1N=C[N]2 |
|
AD42917 | 2.34 | 319.14 | C12H9ON5Br | OCc1ccc(Nc2ncnc3c2N=C(Br)[N]3)cc1 |
|
AD42918 | 2.75 | 316.33 | C17H17O3N2F | O=C(c1cc(F)cc(Nc2ccc(O)cc2)c1)N1CCOCC1 |
|
AD42919 | 3.33 | 332.4 | C17H17O2N2FS | O=C(c1cc(F)cc(Nc2ccc(S)cc2)c1)N1CCOCC1 |
|
AD42920 | 0.09 | 137.14 | C6H7ON3 | Nc1ncc2c(n1)COC2 |