aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22221 | 1.09 | 170.6 | C8H7ON2Cl | CNC(=O)c1ccncc1Cl |
|
AD22222 | 2.76 | 186.21 | C12H10O2 | Oc1cccc(-c2ccccc2O)c1 |
|
AD22223 | 3.16 | 214.29 | C13H10OS | COc1ccc(C#Cc2ccsc2)cc1 |
|
AD22224 | 0.27 | 188.19 | C10H8O2N2 | O=C1C=C2NCCc3c[nH]c(c32)C1=O |
|
AD22225 | -0.77 | 326.28 | C14H15O6N2F | NC(=O)COC1OC(C(=O)Nc2ccc(F)cc2)=CC(O)C1O |
|
AD22226 | 2.08 | 257.25 | C14H11O4N | O=C(O)C(=O)Nc1cccc(-c2ccccc2O)c1 |
|
AD22227 | 4.61 | 228.44 | C15H34N | CCCCCCCCCCCC[N+](C)(C)C |
|
AD22228 | 8.34 | 638.9 | C40H54O3N4 | CC1(C)CCC2(C(=O)OCc3cn(-c4cccc(C#N)c4)nn3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD22229 | 8.47 | 613.89 | C39H55O3N3 | CC1(C)CCC2(C(=O)OCc3cn(-c4ccccc4)nn3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD22230 | 1.99 | 240.27 | C13H12ON4 | COc1ccc(-c2ccn3ncnc(N)c23)cc1 |