aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42751 | 1.75 | 338.16 | C13H12O3N3Br | O=C(NCCO)c1ccc(Oc2ncc(Br)cn2)cc1 |
|
AD42752 | 2.69 | 317.72 | C14H10O2N6Cl | COc1ccc(NC(=O)Nc2ncnc3c2N=C[N]3)cc1Cl |
|
AD42753 | 3.08 | 307.32 | C11H8O2NF3S2 | NS(=O)(=O)c1csc(C(F)(F)F)c1-c1ccccc1 |
|
AD42754 | 0.51 | 233.23 | C11H11O3N3 | O=c1[nH]cc(NCOc2ccccc2)c(=O)[nH]1 |
|
AD42755 | -0.1 | 225.25 | C10H15O3N3 | CC1COCCC1Nc1c[nH]c(=O)[nH]c1=O |
|
AD42756 | 2.78 | 296.3 | C13H10O2N2F2S | O=C(Nc1ccc(S)cc1)c1cccn(C(F)F)c1=O |
|
AD42757 | 2.36 | 254.35 | C17H20ON | [NH3+]C1CCc2ccc(OCc3ccccc3)cc2C1 |
|
AD42758 | 2.65 | 333.17 | C13H11ON5Br | Cc1cc(CO)cc(Nc2ncnc3c2N=C(Br)[N]3)c1 |
|
AD42759 | 2.8 | 342.15 | C9H5N5SI | Ic1nc2c(c(Nc3ccsc3)n1)N=C[N]2 |
|
AD42760 | 2.6 | 336.12 | C11H7N5I | IC1=C[N]c2ncnc(Nc3cccnc3)c21 |