aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43311 | 2.02 | 350.13 | C12H8O3N5Br | O=C(Nc1ncnc2[nH]c(=O)[nH]c12)Oc1ccc(Br)cc1 |
|
AD43312 | 2.8 | 300.38 | C16H16O2N2S | O=C(Nc1ccc(S)cc1)c1cccn(CC2CC2)c1=O |
|
AD43313 | 2.39 | 333.17 | C13H11ON5Br | OCCc1ccc(Nc2ncnc3c2N=C(Br)[N]3)cc1 |
|
AD43314 | 2.41 | 321.3 | C16H11O3N5 | O=C(Nc1ncnc2[nH]c(=O)[nH]c12)Oc1ccc2ccccc2c1 |
|
AD43315 | 3.39 | 293.41 | C14H15O2NS2 | Cc1cccc(C)c1S(=O)(=O)Nc1ccc(S)cc1 |
|
AD43316 | 2.47 | 334.41 | C13H12O2N5S2 | Cc1cccc(C)c1S(=O)(=O)Nc1[nH]c(=S)nc2c1N=C[N]2 |
|
AD43317 | 2.84 | 328.41 | C19H24O3N2 | CC(C)(C)OC(=O)N1CCC2(C=C(C(N)=O)c3ccccc32)CC1 |
|
AD43318 | 1.91 | 326.44 | C17H30O4N2 | CC(C)(C)OC(=O)N1CCC2(CCC(C(=O)NCCO)C2)CC1 |
|
AD43319 | 2.78 | 310.18 | C11H8ON3SBr | O=C(Nc1ccc(S)cc1)c1cncc(Br)n1 |
|
AD43320 | 2.93 | 330.43 | C19H26O3N2 | CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(N)=O)c1ccccc12 |