aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43611 | 2.87 | 336.41 | C18H25O3N2F | CC(C)(C)OC(=O)N1CCC(Cc2ccccc2F)(C(N)=O)CC1 |
|
AD43612 | 1.04 | 224.63 | C9H7ON5Cl | CC(=O)CNc1nc(Cl)nc2c1N=C[N]2 |
|
AD43613 | 2.35 | 339.38 | C16H13O2N5S | Cc1c(CC(=O)Nc2ncnc3[nH]c(=O)[nH]c23)sc2ccccc12 |
|
AD43614 | 2.97 | 288.37 | C15H16O2N2S | CC(C)n1ccc(C(=O)Nc2ccc(S)cc2)cc1=O |
|
AD43615 | 3.11 | 300.38 | C16H16O2N2S | O=C(Nc1ccc(S)cc1)c1cccn(C2CCC2)c1=O |
|
AD43616 | 2.26 | 337.39 | C16H13ON6S | Cc1c(CC(=O)n2c(N)c3c(nc2=N)[N]C=N3)sc2ccccc12 |
|
AD43617 | 2.95 | 328.31 | C14H11O2N2F3S | O=C(Nc1ccc(S)cc1)c1ccc(=O)n(CC(F)(F)F)c1 |
|
AD43618 | 3.18 | 330.41 | C17H18O3N2S | O=C(Nc1ccc(S)cc1)c1cc(OC2CCOCC2)ccn1 |
|
AD43619 | 3.2 | 324.37 | C16H12O2N4S | O=C(Nc1ccc(S)cc1)c1cnc(Oc2cccnc2)nc1 |
|
AD43620 | 2.97 | 288.37 | C15H16O2N2S | CC(C)n1cc(C(=O)Nc2ccc(S)cc2)ccc1=O |