aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11371 | 3.88 | 335.33 | C15H10N4F3S | FC(F)(F)c1cccc(C=CCSc2ncnc3c2C=N[N]3)c1 |
|
AD11372 | 3.71 | 290.32 | C18H14O2N2 | O=C(Nc1cccnc1)c1cccc(-c2ccc(O)cc2)c1 |
|
AD11373 | 2.09 | 298.34 | C17H18O3N2 | CNC(=O)c1cc(C(=O)NC)cc(-c2ccc(O)c(C)c2)c1 |
|
AD11374 | 4.73 | 370.6 | C20H38O2N2S | CCCCCCCCCCCCCCNC(=O)C1CSCN1C(C)=O |
|
AD11375 | 6.95 | 470.74 | C31H50O3 | COC(C)(C)C=CCC(C)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(O)C5(C)C |
|
AD11376 | 2.58 | 207.28 | C11H17ON3 | CC(CCCN(C)N=O)c1cccnc1 |
|
AD11377 | 3.73 | 789.07 | C43H72O9N4 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2OCCCNCc2ccnc3ccccc23)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O |
|
AD11378 | 2.89 | 314.29 | C17H14O6 | COc1cc(O)c2c(=O)cc(-c3ccc(O)c(OC)c3)oc2c1 |
|
AD11379 | 4.07 | 803.1 | C44H74O9N4 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2OCCCN(C)Cc2cnc3ccccc3c2)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O |
|
AD11380 | 1.58 | 239.26 | C12H11N6 | Nc1nc(NCc2ccccc2)nc2c1N=C[N]2 |