aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16751 | 0.4 | 429.4 | C19H22O5N3F3 | O=c1ccn(C2OC(C(O)CNCCc3cccc(C(F)(F)F)c3)CC2O)c(=O)[nH]1 |
|
AD16752 | -0.78 | 181.18 | C6H9ON6 | CN(C)N=NC1=C(C(N)=O)N=C[N]1 |
|
AD16753 | 2.99 | 311.41 | C17H23N6 | Nc1nc(NCCC23CC4CC(CC(C4)C2)C3)nc2c1N=C[N]2 |
|
AD16754 | -0.32 | 89.09 | C3H7O2N | CCONC=O |
|
AD16755 | 1.34 | 265.3 | C10H11O2N5S | C=CCn1c(=S)[nH]c2nc(NC(C)=O)nc(O)c21 |
|
AD16756 | 1.9 | 256.31 | C12H10N5S | Nc1ncnc2c1C(SCc1ccccc1)=N[N]2 |
|
AD16757 | 3.22 | 403.77 | C20H14O7NCl | COc1cc(C=CC(=O)Nc2c(O)c3ccc(O)c(Cl)c3oc2=O)ccc1O |
|
AD16758 | 1.0 | 178.24 | C10H14ON2 | NNC(=O)CCCc1ccccc1 |
|
AD16759 | 5.86 | 501.55 | C30H28O5NF | COc1cccc(-c2cc(C(=O)NCCc3c(OC)cc(O)cc3-c3cccc(F)c3)ccc2OC)c1 |
|
AD16760 | 1.67 | 366.37 | C20H18O5N2 | C=CC1C(O)OC=C2C(=O)N3Cc4c([nH]c5cc(O)ccc5c4=O)C3CC21 |