aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12091 | 2.23 | 273.71 | C13H10N6Cl | Nc1nc2c(c(NCc3ccccc3Cl)n1)N=C[N]2 |
|
AD12092 | 3.1 | 239.77 | C13H14NClS | NCc1cc(CC2C=CC=CC2Cl)cs1 |
|
AD12093 | 1.31 | 244.3 | C8H8O3N2S2 | CNS(=O)(=O)c1ccc(-c2ccno2)s1 |
|
AD12094 | 4.86 | 335.83 | C22H18ONCl | O=C(NCc1ccc(Cc2ccccc2Cl)cc1)c1ccccc1 |
|
AD12095 | 2.71 | 188.23 | C12H12O2 | O=C1CCCC(c2ccccc2)=C1O |
|
AD12096 | 4.88 | 261.37 | C19H19N | Cc1cccc2ccn(Cc3ccc(C4CC4)cc3)c12 |
|
AD12097 | 3.83 | 225.27 | C15H12NF | Fc1ccc(Cn2ccc3ccccc32)cc1 |
|
AD12098 | 5.13 | 299.37 | C21H17ON | Oc1cccc2[nH]cc(Cc3ccc(-c4ccccc4)cc3)c12 |
|
AD12099 | 4.3 | 576.77 | C27H44O9S2 | CC(C)C(CCC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)[O-])CCC4(C)C3=CCC12C)OS(=O)(=O)[O-] |
|
AD12100 | 4.15 | 301.8 | C16H12N3ClS | Cc1ccc(-c2nnc(Cc3ccccc3Cl)s2)cn1 |