aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14661 | 2.82 | 373.4 | C20H17O2N6 | O=C(COc1ccc(Nc2ncnc3c2N=C[N]3)cc1)NCc1ccccc1 |
|
AD14662 | -0.1 | 169.14 | C7H7O4N | NC(=O)c1cc(O)c(O)c(O)c1 |
|
AD14663 | 2.94 | 401.41 | C21H17O3N6 | O=C(O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1 |
|
AD14664 | 3.96 | 340.37 | C20H14ON5 | O=C1Nc2ccccc2C1=Cc1cn(CC2=C[N]N=N2)c2ccccc12 |
|
AD14665 | 0.88 | 214.24 | C9H10O4S | COC(=O)c1ccc(S(C)(=O)=O)cc1 |
|
AD14666 | 0.11 | 345.35 | C18H19O6N | C=CC1C(O)OC=C(C(=O)O)C1C=Cc1cc(C(=O)[O-])c[n+](CC)c1 |
|
AD14667 | 1.63 | 604.83 | C31H60O9N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)OC |
|
AD14668 | 1.53 | 142.18 | C6H6O2S | COC(=O)c1cccs1 |
|
AD14669 | 1.77 | 304.42 | C15H20ON4S | CSCCC(N)C(=O)NCc1cc(-c2ccccc2)[nH]n1 |
|
AD14670 | 2.98 | 241.1 | C12H8N3Cl2 | Clc1cc2c(cc1Cl)N=C(NC1CC1)[N]2 |