aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD41701 | -0.23 | 229.2 | C10H7O2N5 | O=c1[nH]cc(-c2ccc3nncn3c2)c(=O)[nH]1 |
|
AD41702 | -0.14 | 148.23 | C5H12ON2S | COCCCNC(N)=S |
|
AD41703 | 0.0 | 160.24 | C6H12ON2S | NC(=S)NCC1CCCO1 |
|
AD41704 | 1.93 | 357.42 | C16H17O2N6S | COc1ccc(CCNC(=S)Nc2ncnc3c2N=C[N]3)cc1OC |
|
AD41705 | 0.07 | 327.37 | C16H19O2N6 | CC(=O)N1CCN(c2ccc(NC3=C(C(N)=O)N=C[N]3)cc2)CC1 |
|
AD41706 | 1.28 | 327.78 | C12H12O2N6ClS | CCOC(=O)CCNC(=S)Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD41707 | 1.4 | 229.34 | C12H25O2N2 | CC1CC([NH3+])CC(C)N1C(=O)OC(C)(C)C |
|
AD41708 | 1.89 | 343.39 | C15H15O2N6S | COc1cccc(CNC(=S)Nc2ncnc3c2N=C[N]3)c1OC |
|
AD41709 | 1.09 | 331.83 | C11H12ON6ClS2 | CS(=O)CCCNC(=S)Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD41710 | 2.39 | 292.36 | C14H16O3N2S | CN(C)S(=O)(=O)c1ccc(Nc2ccc(O)cc2)cc1 |