aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20371 | 1.34 | 191.24 | C8H7N4S | C=CCSc1ncnc2c1C=N[N]2 |
|
AD20372 | 1.28 | 123.15 | C7H9ON | Cc1c(N)cccc1O |
|
AD20373 | -0.57 | 133.15 | C5H11O3N | COC(C)C(N)C(=O)O |
|
AD20374 | 2.58 | 658.92 | C35H66O9N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(NC2CCCCC2)C(C)C(O)C1(C)O |
|
AD20375 | 0.27 | 172.57 | C7H5O2N2Cl | C=C(Cl)c1c[nH]c(=O)[nH]c1=O |
|
AD20376 | 3.57 | 301.39 | C17H23O2N3 | CCCC(=O)Nc1ccc(Cc2c(O)n[nH]c2C(C)C)cc1 |
|
AD20377 | 2.29 | 228.25 | C13H12O2N2 | O=C(Nc1cc2ccc(O)cc2cn1)C1CC1 |
|
AD20378 | 2.02 | 205.63 | C10H6N4Cl | Cn1ccc2c1[N]c1ncnc(Cl)c1-2 |
|
AD20379 | 1.37 | 201.21 | C10H9ON4 | COc1ncnc2c1-c1ccn(C)c1[N]2 |
|
AD20380 | 9.49 | 681.88 | C40H54O3N3F3 | CC1(C)CCC2(C(=O)OCc3cn(-c4ccc(C(F)(F)F)cc4)nn3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |