aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04591 | 1.75 | 196.68 | C11H13N2Cl | Clc1ccccc1N1CCNCC1 |
|
AD04592 | 1.6 | 283.32 | C13H15N8 | Nc1nc(-n2cc(C3CCCCC3)nn2)nc2c1N=C[N]2 |
|
AD04593 | 2.76 | 181.67 | C11H12NCl | Clc1cccc(C2CCCN2)c1 |
|
AD04594 | 1.19 | 287.37 | C10H13O3N3S2 | CCOC(=O)c1sc2c(c1C)C(=O)N(N)C(S)N2 |
|
AD04595 | 2.13 | 346.38 | C19H22O6 | CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccccc1 |
|
AD04596 | 3.65 | 522.6 | C28H27O5N2FS | CS(=O)(=O)NCC#Cc1ccc(N2C(=O)C(CCC(O)c3ccc(F)cc3)C2c2ccc(O)cc2)cc1 |
|
AD04597 | 4.76 | 379.45 | C23H19N6 | C1=Nc2c(nc(NCc3ccccc3)nc2NCc2cccc3ccccc23)[N]1 |
|
AD04598 | 0.85 | 257.28 | C11H13N8 | CC(C)(C)c1cn(-c2nc(N)c3c(n2)[N]C=N3)nn1 |
|
AD04599 | 1.43 | 402.49 | C19H34O7N2 | O=C(O)CCCCCCCCCCCNC(=O)C(CO)NC(=O)CCC(=O)O |
|
AD04600 | 7.69 | 543.07 | C36H27O2N2Cl | O=C1CN(c2ccc(Cc3ccccc3Cl)cc2)C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 |