aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD41521 | 1.4 | 220.29 | C13H18O2N | [NH3+]C1CCC(OC(=O)c2ccccc2)CC1 |
|
AD41522 | -0.22 | 225.25 | C10H15O3N3 | O=c1[nH]cc(NC2CCCC(O)C2)c(=O)[nH]1 |
|
AD41523 | 1.02 | 318.33 | C15H17O2N5F | CCN(CC)C(=O)c1cccc(NC2=C(C(N)=O)N=C[N]2)c1F |
|
AD41524 | -0.35 | 211.22 | C9H13O3N3 | O=c1[nH]cc(NC2CCCOC2)c(=O)[nH]1 |
|
AD41525 | -1.19 | 240.26 | C10H16O3N4 | CN1CCOCC1CNc1c[nH]c(=O)[nH]c1=O |
|
AD41526 | 0.69 | 322.73 | C14H13O3N5Cl | CON(C)C(=O)c1ccc(NC2=C(C(N)=O)N=C[N]2)c(Cl)c1 |
|
AD41527 | 0.88 | 334.79 | C16H17O2N5Cl | NC(=O)C1=C(Nc2cccc(Cl)c2CN2CCOCC2)[N]C=N1 |
|
AD41528 | 1.34 | 324.32 | C16H14O3N5 | COC(=O)CNC(=O)c1ccc(Nc2ncnc3c2C=C[N]3)cc1 |
|
AD41529 | 0.88 | 334.79 | C16H17O2N5Cl | NC(=O)C1=C(Nc2ccc(CN3CCOCC3)c(Cl)c2)[N]C=N1 |
|
AD41530 | -0.49 | 199.21 | C8H13O3N3 | COC(C)CNc1c[nH]c(=O)[nH]c1=O |