aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00321 | 2.93 | 391.47 | C23H25O3N3 | COc1ccc2[nH]cc(CCNC(=O)C(O)Cc3cn(C)c4ccccc34)c2c1 |
|
AD00322 | 2.92 | 262.66 | C12H6N5FCl | Fc1cc(Cl)ccc1Nc1ncnc2c1N=C[N]2 |
|
AD00323 | 2.59 | 330.29 | C17H14O7 | COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2O)cc1 |
|
AD00324 | 3.26 | 384.59 | C13H8N5ClI | Clc1nc2c(c(NCc3cccc(I)c3)n1)N=C[N]2 |
|
AD00325 | 12.66 | 696.2 | C44H89O4N | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC |
|
AD00326 | 2.33 | 186.21 | C11H10ON2 | NC(=O)Nc1cccc2ccccc12 |
|
AD00327 | 0.39 | 125.13 | C6H7O2N | Cc1[nH]ccc(=O)c1O |
|
AD00328 | 7.09 | 456.71 | C30H48O3 | C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12 |
|
AD00329 | -0.34 | 172.21 | C5H8ON4S | CSc1nc(N)c(N)c(=O)[nH]1 |
|
AD00330 | -1.03 | 180.15 | C6H6O2N5 | COc1nc2c(c(=O)[nH]1)N=C(N)[N]2 |