aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43281 | 2.95 | 314.35 | C15H11ON4FS | O=C(Nc1ccc(S)cc1)c1ncn(-c2cccc(F)c2)n1 |
|
AD43282 | 2.19 | 360.14 | C10H11O2N5I | CC(C)COC(=O)Nc1nc(I)nc2c1N=C[N]2 |
|
AD43283 | 2.66 | 359.15 | C11H12O2N4I | CC(C)COC(=O)Nc1ncnc2c1C(I)=C[N]2 |
|
AD43284 | 2.81 | 296.36 | C15H12ON4S | O=C(Nc1ccc(S)cc1)c1cccc(-n2cncn2)c1 |
|
AD43285 | 3.19 | 316.38 | C16H16O3N2S | CC(C)OC(=O)c1ncccc1C(=O)Nc1ccc(S)cc1 |
|
AD43286 | 3.31 | 320.74 | C13H7O2N5ClS | O=C(Nc1[nH]c(=S)nc2c1N=C[N]2)Oc1ccc(Cl)cc1 |
|
AD43287 | 2.77 | 323.17 | C12H13ON5Br | COC1CCC(=Nc2ncnc3c2N=C(Br)[N]3)CC1 |
|
AD43288 | 2.65 | 288.67 | C13H7O2N5Cl | O=C(Nc1ncnc2c1N=C[N]2)Oc1ccc(Cl)cc1 |
|
AD43289 | 1.16 | 336.39 | C17H24O5N2 | CC(C)(C)OC(=O)N1Cc2ccc(O)cc2CC1C(=O)NCCO |
|
AD43290 | 1.3 | 307.34 | C16H15ON6 | N=c1nc2c(c(N)n1C(=O)CC1Cc3ccccc3C1)N=C[N]2 |