aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD33631 | -0.1 | 239.23 | C11H13O5N | COC(=O)c1ccc(O)c(C(=O)NCCO)c1 |
|
AD33632 | -0.07 | 220.28 | C11H16ON4 | CN1CCN(c2cncc(C(N)=O)c2)CC1 |
|
AD33633 | 0.68 | 237.28 | C12H16ON3F | CN1CCN(c2ccc(C(N)=O)c(F)c2)CC1 |
|
AD33634 | 0.92 | 245.31 | C12H17N6 | CCC1CN(C)CCN1c1ncnc2c1N=C[N]2 |
|
AD33635 | 1.27 | 223.66 | C8H7O2NFClS | NS(=O)(=O)Cc1ccc(Cl)c(F)c1 |
|
AD33636 | -0.01 | 232.24 | C11H12O2N4 | O=C(NCCO)c1cncn1-c1ccncc1 |
|
AD33637 | 0.92 | 258.67 | C8H5O2N5ClS | C=CS(=O)(=O)Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD33638 | 0.26 | 229.26 | C9H11O4NS | COC(=O)c1ccc(CS(N)(=O)=O)cc1 |
|
AD33639 | 0.85 | 263.35 | C11H15N6S | C1=Nc2c(ncnc2NCCN2CCSCC2)[N]1 |
|
AD33640 | 0.67 | 243.29 | C12H15N6 | C1=Nc2c(ncnc2N2CCN(C3CC3)CC2)[N]1 |