aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD33281 | 2.3 | 228.28 | C12H14N5 | C1=Nc2c(ncnc2NCC2=CCCCC2)[N]1 |
|
AD33282 | 1.19 | 217.31 | C8H11O2NS2 | CSc1ccc(C(=O)NCCO)s1 |
|
AD33283 | 1.27 | 210.3 | C10H14ON2S | Cc1ccccc1NC(=S)NCCO |
|
AD33284 | 1.2 | 218.26 | C12H14O2N2 | Cc1cc2cccc(C(=O)NCCO)c2[nH]1 |
|
AD33285 | 1.2 | 218.26 | C12H14O2N2 | Cc1cc(C(=O)NCCO)c2[nH]ccc2c1 |
|
AD33286 | 3.44 | 199.25 | C13H13ON | Cc1ccc(Nc2ccc(O)cc2)cc1 |
|
AD33287 | 1.7 | 241.25 | C12H11ON5 | Cc1ccccc1Nc1ncnc2[nH]c(=O)[nH]c12 |
|
AD33288 | 3.27 | 203.22 | C12H10ONF | Oc1ccc(Nc2ccc(F)cc2)cc1 |
|
AD33289 | 2.45 | 239.26 | C13H11ON4 | COc1ccc(Nc2ncnc3c2C=C[N]3)cc1 |
|
AD33290 | 2.27 | 228.21 | C11H7N5F | Fc1nc2c(c(Nc3ccccc3)n1)N=C[N]2 |