aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42071 | 1.14 | 343.47 | C14H21O3N3S2 | O=S(=O)(c1ccc(NC(=S)NCCO)cc1)N1CCCCC1 |
|
AD42072 | -0.64 | 234.22 | C10H10O3N4 | O=c1ccc(CNc2c[nH]c(=O)[nH]c2=O)c[nH]1 |
|
AD42073 | 1.28 | 327.78 | C12H12O2N6ClS | CCOC(=O)C(C)NC(=S)Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD42074 | -0.36 | 225.25 | C10H15O3N3 | CC1(O)CC(CNc2c[nH]c(=O)[nH]c2=O)C1 |
|
AD42075 | -0.35 | 211.22 | C9H13O3N3 | CCC1(Nc2c[nH]c(=O)[nH]c2=O)COC1 |
|
AD42076 | 1.25 | 317.11 | C9H10ON4I | CC(O)CNc1ncnc2c1C(I)=C[N]2 |
|
AD42077 | 0.96 | 358.2 | C10H10O2N6SBr | COC(=O)CCNC(=S)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD42078 | 0.45 | 331.39 | C13H21O5N3S | CCOc1ccc(NC(=O)N(C)C)cc1S(=O)(=O)NCCO |
|
AD42079 | 2.12 | 321.35 | C15H15O5NS | COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(O)cc2)cc1 |
|
AD42080 | 0.93 | 308.36 | C14H16O4N2S | O=S(=O)(NCCO)c1ncccc1OCc1ccccc1 |