aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43461 | 2.07 | 340.97 | C9H8O2NFBr2 | O=C(NCCO)c1c(Br)ccc(Br)c1F |
|
AD43462 | 2.82 | 307.37 | C15H17O4NS | COc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2)c(C)c1 |
|
AD43463 | 2.33 | 287.3 | C12H8N6FS | Fc1ccc(NC(=S)Nc2ncnc3c2N=C[N]3)cc1 |
|
AD43464 | 2.03 | 316.32 | C15H19O2N2F3 | O=C(NCCO)C1CCN(c2ccc(C(F)(F)F)cc2)CC1 |
|
AD43465 | 2.89 | 305.4 | C16H19O3NS | COC(=O)C1CC2(CC(C(=O)Nc3ccc(S)cc3)C2)C1 |
|
AD43466 | 2.41 | 288.33 | C14H12O3N2S | COC(=O)c1cc(C(=O)Nc2ccc(S)cc2)ccn1 |
|
AD43467 | 1.8 | 315.76 | C14H18O4N3Cl | CC(C)(C)OC(=O)Nc1nc(Cl)ccc1C(=O)NCCO |
|
AD43468 | 2.25 | 323.38 | C17H19ON6 | CCC(CC)(C(=O)n1c(N)c2c(nc1=N)[N]C=N2)c1ccccc1 |
|
AD43469 | 2.34 | 325.37 | C17H19O2N5 | CCC(CC)(C(=O)Nc1ncnc2[nH]c(=O)[nH]c12)c1ccccc1 |
|
AD43470 | 2.92 | 304.35 | C18H16ON4 | Cc1ccnc(-c2cc(C(N)=O)cc(-c3cc(C)ccn3)n2)c1 |