aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40891 | 1.49 | 321.36 | C17H17ON6 | O=C(c1ccc(Nc2ncnc3c2C=C[N]3)cc1)N1CCNCC1 |
|
AD40892 | -0.3 | 150.18 | C7H10N4 | Nc1ncnc2c1CCNC2 |
|
AD40893 | -0.34 | 136.16 | C6H8N4 | Nc1ncc2c(n1)CNC2 |
|
AD40894 | 1.48 | 225.27 | C13H13N4 | Nc1[nH+]cnc2c1ccn2Cc1ccccc1 |
|
AD40895 | 0.2 | 241.32 | C14H17N4 | Nc1ncnc2c1CC[NH+](Cc1ccccc1)C2 |
|
AD40896 | 1.84 | 243.29 | C14H15O2N2 | COC(=O)c1ccc(-c2ccc(N)[nH+]c2C)cc1 |
|
AD40897 | -0.43 | 236.27 | C11H16O2N4 | O=c1[nH]cc(NC2CN3CCC2CC3)c(=O)[nH]1 |
|
AD40898 | 1.85 | 344.14 | C10H11ON5I | CC(C)(O)CC=Nc1nc(I)nc2c1N=C[N]2 |
|
AD40899 | 1.79 | 327.11 | C10H8ON4I | IC1=C[N]c2ncnc(NC3=CCOC3)c21 |
|
AD40900 | -0.06 | 135.13 | C5H5N5 | Nc1ncc2nc[nH]c2n1 |