aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16581 | 3.3 | 286.32 | C17H12N5 | Nc1nc(-c2ccc(-c3ccccc3)cc2)nc2c1N=C[N]2 |
|
AD16582 | 1.73 | 183.19 | C10H7N4 | Nc1nc2ccccc2c2c1N=C[N]2 |
|
AD16583 | 3.34 | 329.45 | C17H21ON4S | Cc1cc2c(s1)Nc1ccccc1N=C2N1CC[N+](C)(O)CC1 |
|
AD16584 | 2.57 | 302.32 | C16H12N7 | Nc1nc(NN=Cc2cccc3ccccc23)nc2c1N=C[N]2 |
|
AD16585 | 0.48 | 789.97 | C39H63O10N7 | CCC(C)C(NC(=O)C(N)C(C)O)C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(C)CC |
|
AD16586 | 0.0 | 247.25 | C12H13O3N3 | CNC(=O)CC(=O)Nc1cccc2c1CNC2=O |
|
AD16587 | 1.8 | 266.29 | C13H12N7 | CC(=NNc1nc(N)c2c(n1)[N]C=N2)c1ccccc1 |
|
AD16588 | -0.93 | 181.13 | C6H5O3N4 | Oc1nc(C(O)O)nc2c1N=C[N]2 |
|
AD16589 | 3.54 | 1281.06 | C62H56O18N9FCl2 | CC(C)CC(Nc1ccc(F)cc1)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD16590 | 2.08 | 149.19 | C9H11ON | ON=CCCc1ccccc1 |