aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43861 | 2.52 | 319.3 | C16H11O2N6 | O=c1[nH]cnc2c1N=C(N=NCc1c(O)ccc3ccccc13)[N]2 |
|
AD43862 | 1.83 | 305.32 | C14H20O2N2F3 | [NH3+]CCON=C(CCCCO)c1ccc(C(F)(F)F)cc1 |
|
AD43863 | 0.76 | 217.98 | C4HN3I | N#CC1=C(I)[N]C=N1 |
|
AD43864 | 0.47 | 190.21 | C9H10ON4 | CNNc1nc(=O)c2ccccc2[nH]1 |
|
AD43865 | 3.2 | 249.42 | C12H27O2NS | CCCCCCCCCCCCS(N)(=O)=O |
|
AD43866 | 2.96 | 304.4 | C14H12O2N2S2 | Cc1ccc(S(=O)(=O)Nc2ccc(S)cc2)cc1C#N |
|
AD43867 | 2.72 | 292.39 | C18H20N4 | N#CC1(c2cccnc2N)CCN(Cc2ccccc2)CC1 |
|
AD43868 | 2.76 | 312.21 | C14H18O2NBr | COC(=O)C1(c2ccc(Br)cc2)CCC(N)CC1 |
|
AD43869 | 3.17 | 314.22 | C14H20O2NBr | COCOC1(c2ccc(Br)cc2)CCC(N)CC1 |
|
AD43870 | 0.97 | 158.16 | C8H6N4 | N#Cc1cnc2cc(N)c[nH]c1-2 |