aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08031 | 3.48 | 306.37 | C16H12N5S | c1ccc(CNc2ncnc3c2N=C(c2cccs2)[N]3)cc1 |
|
AD08032 | 1.65 | 185.17 | C9H5ON4 | C1=Nc2c(ncnc2-c2ccco2)[N]1 |
|
AD08033 | 4.76 | 432.65 | C27H44O4 | CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C |
|
AD08034 | 1.92 | 273.7 | C14H10ON4Cl | CC1=N[N]c2c1ncn(Cc1ccc(Cl)cc1)c2=O |
|
AD08035 | -3.16 | 373.45 | C16H31O5N5 | CCNC1CC(N)C(OC2OC(CNC(=O)CN)=CCC2N)C(O)C1O |
|
AD08036 | 2.69 | 358.39 | C20H22O6 | COc1cc(CC2COC(=O)C2Cc2ccc(O)c(OC)c2)ccc1O |
|
AD08037 | 2.24 | 216.27 | C10H8N4S | Sc1n[nH]c(-c2cc3ccccc3[nH]2)n1 |
|
AD08038 | -5.91 | 919.07 | C38H66O14N10S | NC(=O)CN(CCO)C(=O)CN(CCO)C(=O)CN(CCO)C(=O)CN(CCO)C(=O)CN(CCO)C(=O)CNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21 |
|
AD08039 | 1.48 | 231.21 | C12H9O4N | O=c1[nH]ccc(O)c1-c1ccc2c(c1)OCO2 |
|
AD08040 | 3.57 | 325.2 | C14H8N5Cl2S | Nc1nc2c(c(SCc3ccc(Cl)cc3Cl)n1)N=C[N]2 |