aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD39781 | 0.99 | 295.32 | C11H12ON6FS | Fc1nc2c(c(NC(=S)NCC3CCCO3)n1)N=C[N]2 |
|
AD39782 | 1.5 | 311.78 | C12H12ON6ClS | S=C(NCC1CCCO1)Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD39783 | 1.92 | 283.38 | C11H13O2N3S2 | CS(=O)(=O)Cn1cc(Nc2ccc(S)cc2)cn1 |
|
AD39784 | 1.46 | 294.34 | C12H13ON5FS | FC1=C[N]c2ncnc(NC(=S)NCC3CCCO3)c21 |
|
AD39785 | 1.15 | 281.31 | C13H19O4N3 | CC(C)(C)OC(=O)Nc1ccncc1C(=O)NCCO |
|
AD39786 | 0.75 | 302.31 | C14H16O3N5 | CC(C)(C)OC(=O)c1ncccc1NC1=C(C(N)=O)N=C[N]1 |
|
AD39787 | 0.7 | 284.38 | C13H20O3N2S | COc1ccc(CCNC(=S)NCCO)cc1OC |
|
AD39788 | 0.77 | 291.76 | C12H14O4NClS | Cc1c(S(C)(=O)=O)ccc(C(=O)NCCO)c1Cl |
|
AD39789 | 0.54 | 300.34 | C15H18O2N5 | Cc1cc(NC2=C(C(N)=O)N=C[N]2)ccc1N1CCOCC1 |
|
AD39790 | 0.86 | 298.13 | C8H9O3NFSBr | O=S(=O)(NCCO)c1ccc(F)cc1Br |