aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16991 | 4.19 | 346.44 | C19H16N5S | C1=Nc2c(nc(Sc3ccccc3)nc2NCCc2ccccc2)[N]1 |
|
AD16992 | 2.77 | 314.39 | C15H16ON5S | COc1ccc(CCNc2nc(SC)nc3c2N=C[N]3)cc1 |
|
AD16993 | 0.67 | 265.67 | C9H8O5NClS | COS(=O)(=O)NC(=O)c1ccc(Cl)cc1O |
|
AD16994 | 3.85 | 308.38 | C19H20O2N2 | CCc1[nH]nc(O)c1Cc1ccccc1OCc1ccccc1 |
|
AD16995 | 12.48 | 494.93 | C34H70O | CCCCCCCCCCCCCCCCCC(O)CCCCCCCCCCCCCCCC |
|
AD16996 | 3.17 | 346.54 | C17H34O3N2S | CCCCCCCCCCCCSCC(N)C(=O)NCC(=O)O |
|
AD16997 | 3.12 | 244.29 | C15H16O3 | COC(=O)C(C)c1ccc2cc(OC)ccc2c1 |
|
AD16998 | 3.19 | 349.39 | C21H19O4N | CC1(C)c2ccccc2C(=O)c2c1[nH]c1cc(C(=O)OCCO)ccc21 |
|
AD16999 | 2.76 | 214.22 | C13H10O3 | O=C(O)c1ccc(-c2ccc(O)cc2)cc1 |
|
AD17000 | 0.88 | 416.48 | C21H28O5N4 | CN(CCNc1ccc2c(c1)c(=O)c(C(=O)NCCO)cn2C1CC1)CCC(=O)O |