aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42611 | 1.61 | 329.35 | C18H19O5N | O=C(O)Cc1ccc(OCc2ccccc2C(=O)NCCO)cc1 |
|
AD42612 | 2.76 | 245.24 | C12H14ONF3 | CC(C)(Cc1ccccc1C(F)(F)F)C(N)=O |
|
AD42613 | 2.61 | 304.78 | C11H9O3N2ClS2 | Cc1nc(Cl)sc1S(=O)(=O)Nc1ccc(O)cc1 |
|
AD42614 | 2.73 | 344.42 | C16H18O2N5S | Cc1c(C)c(C)c(S(=O)(=O)Nc2ncnc3c2N=C[N]3)c(C)c1C |
|
AD42615 | 3.19 | 320.85 | C11H9O2N2ClS3 | Cc1nc(Cl)sc1S(=O)(=O)Nc1ccc(S)cc1 |
|
AD42616 | 1.92 | 328.79 | C11H7O2N5ClS2 | Cc1nc(Cl)sc1S(=O)(=O)Nc1ncnc2c1C=C[N]2 |
|
AD42617 | 1.34 | 326.4 | C13H14O4N2S2 | O=C(O)CC(Sc1nc2ccccc2s1)C(=O)NCCO |
|
AD42618 | 1.24 | 309.72 | C11H6O2N6ClS | O=S(=O)(Nc1ncnc2c1N=C[N]2)c1cccnc1Cl |
|
AD42619 | 2.82 | 300.79 | C12H9O2N2ClS2 | O=S(=O)(Nc1ccc(S)cc1)c1cccnc1Cl |
|
AD42620 | 2.86 | 347.15 | C13H9O2N5Br | Cc1cc(Nc2ncnc3c2N=C(Br)[N]3)ccc1C(=O)O |