aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43521 | 1.63 | 306.36 | C16H22O4N2 | CC(C)(C)OC(=O)N1CC(C(=O)NCCO)c2ccccc21 |
|
AD43522 | 3.11 | 312.39 | C17H16O2N2S | O=C(Nc1ccc(S)cc1)C1CCC(=O)N1c1ccccc1 |
|
AD43523 | 2.81 | 300.38 | C16H16O2N2S | CN1CC(C(=O)Nc2ccc(S)cc2)Oc2ccccc21 |
|
AD43524 | 1.8 | 350.42 | C18H26O5N2 | CC(C)(C)OC(=O)N1CCC(Oc2cccc(C(=O)NCCO)c2)C1 |
|
AD43525 | 2.81 | 301.37 | C15H15O2N3S | O=C(Nc1ccc(S)cc1)c1nccnc1OCC1CC1 |
|
AD43526 | 1.59 | 352.43 | C18H28O5N2 | CC(OCc1ccccc1)C(NC(=O)OC(C)(C)C)C(=O)NCCO |
|
AD43527 | 2.8 | 289.36 | C14H15O2N3S | CC(C)Oc1nccnc1C(=O)Nc1ccc(S)cc1 |
|
AD43528 | 3.08 | 329.21 | C15H10O2N2Cl2S | O=C(Cn1cc(Cl)c(=O)c(Cl)c1)Nc1ccc(S)cc1 |
|
AD43529 | 1.94 | 339.12 | C10H8N6I | Cn1ccc(Nc2ncnc3c2C(I)=C[N]3)n1 |
|
AD43530 | 1.81 | 315.74 | C15H12ON6Cl | Cc1ccc(C(=O)n2c(N)c3c(nc2=N)[N]C=N3)c(C)c1Cl |