aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD39301 | 1.56 | 300.37 | C13H14N7S | C1=Nc2c(ncnc2N2CCCN(c3nccs3)CC2)[N]1 |
|
AD39302 | 0.83 | 281.31 | C14H19O5N | COc1cc(C=CC(=O)NCCO)cc(OC)c1OC |
|
AD39303 | 0.8 | 284.74 | C14H17O3N2Cl | NC(=O)CC(CC(=O)NCCO)c1ccc(Cl)cc1 |
|
AD39304 | 0.82 | 298.77 | C15H19O3N2Cl | O=C(NCCO)C(c1ccccc1Cl)N1CCOCC1 |
|
AD39305 | 2.3 | 271.32 | C16H17O3N | COc1cc(CC(N)=O)ccc1OCc1ccccc1 |
|
AD39306 | 1.1 | 283.32 | C14H15ON6 | CC1(C(=O)n2c(N)c3c(nc2=N)[N]C=N3)CC2C=CC1C2 |
|
AD39307 | 1.92 | 264.35 | C13H16O2N2S | CC(=O)N1CCCC1C(=O)Nc1ccc(S)cc1 |
|
AD39308 | 0.75 | 306.73 | C14H13O2N5Cl | CN(C)C(=O)c1ccc(NC2=C(C(N)=O)N=C[N]2)cc1Cl |
|
AD39309 | 0.76 | 300.12 | C9H10O2N5Br | CC(C)(Br)C(=O)Nc1ncnc2[nH]c(=O)[nH]c12 |
|
AD39310 | 1.64 | 301.1 | C9H8ON5FBr | CC(C)(Br)C(=O)Nc1nc(F)nc2c1N=C[N]2 |