aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD41901 | 0.83 | 315.4 | C13H21O4N3S | CCN(CC)C(=O)Nc1ccc(S(=O)(=O)NCCO)cc1 |
|
AD41902 | 2.03 | 334.41 | C13H12O2N5S2 | O=S(=O)(CCc1ccccc1)Nc1[nH]c(=S)nc2c1N=C[N]2 |
|
AD41903 | 2.52 | 295.34 | C14H14O3NFS | O=S(=O)(CCc1cccc(F)c1)Nc1ccc(O)cc1 |
|
AD41904 | 2.52 | 295.34 | C14H14O3NFS | O=S(=O)(CCc1ccccc1F)Nc1ccc(O)cc1 |
|
AD41905 | 2.32 | 311.37 | C16H13O2N3S | O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(S)cc1 |
|
AD41906 | 1.92 | 293.3 | C13H11O5NS | O=S(=O)(Nc1ccc(O)cc1)c1ccc2c(c1)OCO2 |
|
AD41907 | 1.15 | 330.43 | C16H30O5N2 | COC(C(C)C(=O)NCCO)C1CCCN1C(=O)OC(C)(C)C |
|
AD41908 | 2.34 | 293.34 | C14H15O4NS | COc1ccc(CS(=O)(=O)Nc2ccc(O)cc2)cc1 |
|
AD41909 | 2.3 | 334.41 | C13H12O2N5S2 | Cc1ccccc1CS(=O)(=O)Nc1[nH]c(=S)nc2c1N=C[N]2 |
|
AD41910 | 2.01 | 306.36 | C16H22O4N2 | COc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2C(N)=O |