aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43411 | 2.58 | 324.34 | C17H15ON5F | O=C(Cc1ccc2c(c1)CCCC2)Nc1nc(F)nc2c1N=C[N]2 |
|
AD43412 | 3.17 | 315.39 | C17H17O3NS | COc1cccc2c1OCC(C(=O)Nc1ccc(S)cc1)C2 |
|
AD43413 | 3.17 | 315.39 | C17H17O3NS | COc1ccc2c(c1)CC(C(=O)Nc1ccc(S)cc1)CO2 |
|
AD43414 | 3.3 | 291.35 | C15H14O2NFS | COc1cc(CC(=O)Nc2ccc(S)cc2)ccc1F |
|
AD43415 | 2.78 | 319.32 | C13H9N6F2S | Cc1cc(F)ccc1NC(=S)Nc1nc(F)nc2c1N=C[N]2 |
|
AD43416 | 2.64 | 301.33 | C13H10N6FS | Cc1cc(F)ccc1NC(=S)Nc1ncnc2c1N=C[N]2 |
|
AD43417 | 1.55 | 350.42 | C18H26O5N2 | CC(C)(C)OC(=O)N1CC(Oc2ccccc2)CC1C(=O)NCCO |
|
AD43418 | 3.2 | 320.46 | C17H24O2N2S | CC(C)CC(=O)N1CCC(C(=O)Nc2ccc(S)cc2)CC1 |
|
AD43419 | 3.06 | 302.4 | C16H18O2N2S | CN(C)c1cccc(OCC(=O)Nc2ccc(S)cc2)c1 |
|
AD43420 | 1.78 | 309.35 | C16H17ON6 | Cc1ccc(C(C)(C)C(=O)n2c(N)c3c(nc2=N)[N]C=N3)cc1 |