aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40951 | 2.29 | 321.35 | C15H15O5NS | COC(=O)c1cccc(C)c1S(=O)(=O)Nc1ccc(O)cc1 |
|
AD40952 | 1.65 | 317.35 | C14H13O3N4S | COc1cccc(CS(=O)(=O)Nc2ncnc3c2C=C[N]3)c1 |
|
AD40953 | 1.34 | 349.13 | C8H6O2N4SI | C=CS(=O)(=O)Nc1ncnc2c1C(I)=C[N]2 |
|
AD40954 | 1.43 | 345.36 | C15H13O4N4S | COC(=O)c1ccc(CS(=O)(=O)Nc2ncnc3c2C=C[N]3)cc1 |
|
AD40955 | 1.45 | 366.42 | C15H20O4N5S | CC(C)(C)OC(=O)N1CCC(S(=O)(=O)Nc2ncnc3c2C=C[N]3)C1 |
|
AD40956 | 1.96 | 324.38 | C13H12O4N2S2 | COC(=O)c1cncc(S(=O)(=O)Nc2ccc(S)cc2)c1 |
|
AD40957 | -0.88 | 204.24 | C9H12N6 | C[NH2+]C1CCN1c1ncnc2c1N=C[N]2 |
|
AD40958 | -0.1 | 309.39 | C16H25O4N2 | CC(C)(C)OC(=O)C([NH3+])Cc1ccc(C(=O)NCCO)cc1 |
|
AD40959 | -0.04 | 309.39 | C16H25O4N2 | CC(C)(OC(=O)C([NH3+])CCC(=O)NCCO)c1ccccc1 |
|
AD40960 | 0.89 | 341.16 | C11H12N5I | IC1=C[N]c2ncnc(N=C3CCC[NH2+]C3)c21 |