aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43881 | 2.49 | 310.4 | C13H20O2N5S | CCCCCCCCS(=O)(=O)Nc1ncnc2c1N=C[N]2 |
|
AD43882 | 2.79 | 308.36 | C13H9O2N2FS2 | N#Cc1ccc(F)c(S(=O)(=O)Nc2ccc(S)cc2)c1 |
|
AD43883 | 1.96 | 357.21 | C11H11O2N5SBr | C=CCC1(S(=O)(=O)Nc2ncnc3c2N=C(Br)[N]3)CC1 |
|
AD43884 | 2.02 | 332.75 | C14H7O2N5ClS | N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ncnc3c2C=C[N]3)c1 |
|
AD43885 | 2.02 | 332.75 | C14H7O2N5ClS | N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1ncnc2c1C=C[N]2 |
|
AD43886 | 1.37 | 313.32 | C13H9O2N6S | Cc1ccc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)cc1C#N |
|
AD43887 | 1.35 | 329.45 | C14H25O3N4S | CCCCCCCCCCS(=O)(=O)NC1=C(C(N)=O)N=C[N]1 |
|
AD43888 | 0.56 | 234.26 | C11H14O2N4 | N#CC1CCC(Nc2c[nH]c(=O)[nH]c2=O)CC1 |
|
AD43889 | 0.44 | 195.22 | C9H13O2N3 | C=CCCCNc1c[nH]c(=O)[nH]c1=O |
|
AD43890 | 0.18 | 215.28 | C8H13O2N3S | CC(C)(S)CNc1c[nH]c(=O)[nH]c1=O |