aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43761 | 2.37 | 331.74 | C15H12O2N6Cl | COc1ccc(CNC(=O)Nc2nc(Cl)nc3c2N=C[N]3)cc1 |
|
AD43762 | 3.15 | 297.76 | C14H12O3NClS | Cc1cc(S(=O)(=O)Nc2ccc(O)cc2)ccc1Cl |
|
AD43763 | 1.89 | 352.12 | C11H7ON5I | O=c1cc(Nc2ncnc3c2C(I)=C[N]3)cc[nH]1 |
|
AD43764 | 2.78 | 347.15 | C13H9O2N5Br | CC(=O)Oc1ccc(Nc2ncnc3c2N=C(Br)[N]3)cc1 |
|
AD43765 | 0.03 | 233.23 | C10H11O2N5 | CC(Nc1c[nH]c(=O)[nH]c1=O)c1cnccn1 |
|
AD43766 | 0.62 | 239.28 | C11H17O3N3 | CCCCC(=O)C(C)Nc1c[nH]c(=O)[nH]c1=O |
|
AD43767 | -1.21 | 241.32 | C11H21O2N4 | C[NH+](C)CCC(C)(C)Nc1c[nH]c(=O)[nH]c1=O |
|
AD43768 | 1.41 | 314.38 | C18H21ON3F | Nc1ncc2c(c1F)COC21CC[NH+](Cc2ccccc2)CC1 |
|
AD43769 | -0.09 | 232.29 | C11H16N6 | CC1(Nc2ncnc3c2N=C[N]3)CC[NH2+]CC1 |
|
AD43770 | 2.04 | 313.22 | C14H19O2NBr | COC(=O)C1(c2ccc(Br)cc2)CCC([NH3+])CC1 |