aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD15111 | 2.64 | 262.36 | C12H16N5S | Nc1nc(SCC2CCCCC2)nc2c1N=C[N]2 |
|
AD15112 | 2.07 | 304.34 | C16H14N7 | Nc1nc(-c2cnn(CCc3ccccc3)c2)nc2c1N=C[N]2 |
|
AD15113 | 8.87 | 691.71 | C37H38O2N7Cl2S | Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCCCCCCCOc1ccc(Nc3ncnc4c3N=C[N]4)cc1)C2 |
|
AD15114 | 1.53 | 203.2 | C11H9O3N | Cc1ccc2c(=O)c(C(=O)O)c[nH]c2c1 |
|
AD15115 | 0.61 | 236.33 | C10H20O4S | COC1CC(O)OC(C)C1SCCCO |
|
AD15116 | 1.93 | 159.13 | C6H3N6 | [N-]=[N+]=Nc1nccc2c1N=C[N]2 |
|
AD15117 | 4.19 | 525.73 | C28H45O7S | CC(C)C(C)C1OC1C(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)[O-])CCC4(C)C3=CCC21C |
|
AD15118 | 0.06 | 193.21 | C7H5ON4S | NC(=S)C1=C[N]c2ncnc(O)c21 |
|
AD15119 | 2.05 | 288.3 | C16H16O5 | COc1cc(O)cc2cc3c(c(OC)c12)C(=O)C(O)CC3 |
|
AD15120 | 1.27 | 214.21 | C10H8ON5 | C1=N[N]c2ncnc(NCc3ccco3)c21 |