aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD41971 | 2.03 | 291.33 | C13H13O3N3S | COc1cc(C(=O)Nc2ccc(S)cc2)nc(OC)n1 |
|
AD41972 | 2.03 | 291.33 | C13H13O3N3S | COc1cc(OC)nc(C(=O)Nc2ccc(S)cc2)n1 |
|
AD41973 | 1.84 | 305.38 | C16H23O3N3 | CC(C)(C)OC(=O)N1CCN(c2cccc(C(N)=O)c2)CC1 |
|
AD41974 | 1.85 | 316.39 | C15H16O2N4S | O=C(Nc1ccc(S)cc1)c1cnc(N2CCOCC2)nc1 |
|
AD41975 | 1.63 | 319.35 | C14H19O3N6 | CCOC(=O)CCCCCNC(=O)Nc1ncnc2c1N=C[N]2 |
|
AD41976 | 0.71 | 313.16 | C11H10O4N2Cl2S | O=C(NCCO)c1ccc(S(=O)(=O)N(Cl)Cl)cc1 |
|
AD41977 | 0.76 | 308.36 | C14H16O4N2S | Cc1ccc(S(=O)(=O)n2ccc(C(=O)NCCO)c2)cc1 |
|
AD41978 | 1.29 | 339.34 | C16H15O3N6 | COC(=O)C(Cc1ccccc1)NC(=O)Nc1ncnc2c1N=C[N]2 |
|
AD41979 | 1.6 | 338.35 | C17H16O3N5 | COC(=O)C(Cc1ccccc1)NC(=O)Nc1ncnc2c1C=C[N]2 |
|
AD41980 | 1.93 | 299.28 | C16H13O5N | CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(N)=O |