aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD34751 | -0.58 | 233.23 | C11H11O3N3 | O=C(NCCO)c1cnc2ccccn2c1=O |
|
AD34752 | 0.98 | 216.24 | C11H12ON4 | Cc1nn(-c2cccnc2)c(C)c1C(N)=O |
|
AD34753 | -0.4 | 249.27 | C12H15O3N3 | Cn1c(=O)n(C)c2cc(C(=O)NCCO)ccc21 |
|
AD34754 | 0.93 | 256.29 | C7H6O2N5S2 | C=CS(=O)(=O)Nc1[nH]c(=S)nc2c1N=C[N]2 |
|
AD34755 | 0.51 | 220.15 | C8H7O2N2F3 | NC(=O)c1cccc(=O)n1CC(F)(F)F |
|
AD34756 | 1.03 | 237.3 | C12H19O2N3 | Cc1nn(CC2CCOCC2)c(C)c1C(N)=O |
|
AD34757 | 0.39 | 222.65 | C7H7O3N2ClS | COc1nc(Cl)ccc1S(N)(=O)=O |
|
AD34758 | -0.02 | 236.27 | C12H16O3N2 | O=C(NCCO)c1ccn(CC2CC2)c(=O)c1 |
|
AD34759 | -0.78 | 240.26 | C11H16O4N2 | COCCn1c(C(=O)NCCO)cccc1=O |
|
AD34760 | -0.34 | 247.25 | C12H13O3N3 | Cn1c(=O)c(C(=O)NCCO)nc2ccccc21 |