aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43351 | 2.27 | 330.16 | C12H5O2N5Cl2S | O=C(Nc1ncnc2[nH]c(=O)[nH]c12)c1cc(Cl)c(Cl)s1 |
|
AD43352 | 2.73 | 363.15 | C13H9O3N5Br | COc1ccccc1OC(=O)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD43353 | 1.2 | 334.17 | C12H16O5NBr | COc1cc(Br)c(OC)c(C(=O)NCCO)c1OC |
|
AD43354 | 1.91 | 328.16 | C12H5ON6Cl2S | N=c1nc2c(c(N)n1C(=O)c1cc(Cl)c(Cl)s1)N=C[N]2 |
|
AD43355 | 1.64 | 328.16 | C14H11O2N5Cl2 | O=C(NCCO)c1cccc(Nc2nc(Cl)nc(Cl)n2)c1 |
|
AD43356 | 3.28 | 294.76 | C14H11O2N2ClS | COc1nccc(C(=O)Nc2ccc(S)cc2)c1Cl |
|
AD43357 | 2.66 | 318.7 | C14H9O3N5Cl | COc1ccccc1OC(=O)Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD43358 | 3.28 | 294.76 | C14H11O2N2ClS | COc1cncc(Cl)c1C(=O)Nc1ccc(S)cc1 |
|
AD43359 | 3.26 | 336.2 | C11H8N6SBr | Cc1nc(Br)ccc1Nc1[nH]c(=S)nc2c1N=C[N]2 |
|
AD43360 | 2.6 | 304.13 | C11H8N6Br | Cc1nc(Br)ccc1Nc1ncnc2c1N=C[N]2 |