aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40611 | 1.22 | 291.38 | C14H17O2N3S | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 |
|
AD40612 | 0.48 | 275.31 | C14H17O3N3 | COc1ccc(CN2C(=O)NC3(CCNC3)C2=O)cc1 |
|
AD40613 | 0.99 | 286.37 | C14H26O4N2 | CC(C)(C)OC(=O)N1CCOCC2(CC(CN)CO2)C1 |
|
AD40614 | 1.15 | 284.36 | C14H24O4N2 | COC(=O)C12CCNCC1N(C(=O)OC(C)(C)C)CC2 |
|
AD40615 | 0.95 | 295.31 | C14H18O3N3F | NCC1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 |
|
AD40616 | 1.96 | 305.38 | C16H23O3N3 | CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2N)CC1 |
|
AD40617 | 1.63 | 290.36 | C16H22O3N2 | CC(C)(C)OC(=O)CN1C(=O)C(N)CCc2ccccc21 |
|
AD40618 | 2.15 | 275.18 | C14H16ON2Cl2 | NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1 |
|
AD40619 | 0.84 | 294.36 | C14H22O3N4 | CC(C)(C)OC(=O)N1CCCn2c(nc(CN)cc2=O)C1 |
|
AD40620 | 1.79 | 288.31 | C14H16O3N4 | COC(=O)N1CC(c2nc(-c3ccc(C)c(N)c3)no2)C1 |