aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40881 | 1.03 | 321.11 | C10H12O3NI | Cc1cc(O)c(C(=O)NCCO)cc1I |
|
AD40882 | 1.89 | 288.52 | C7H4O2NFClSBr | NS(=O)(=O)c1cc(Cl)c(Br)cc1F |
|
AD40883 | 2.38 | 333.37 | C16H15O5NS | COC(=O)C=Cc1cccc(S(=O)(=O)Nc2ccc(O)cc2)c1 |
|
AD40884 | 2.14 | 301.33 | C14H11O3N3S | O=S(=O)(Nc1ccc(O)cc1)c1ccc2nccnc2c1 |
|
AD40885 | 0.77 | 315.58 | C8H8O3N2ClSBr | O=S(=O)(NCCO)c1cc(Br)cnc1Cl |
|
AD40886 | 0.88 | 253.32 | C16H17ON2 | NC(=O)c1cccc2c1C[NH+](Cc1ccccc1)C2 |
|
AD40887 | 0.89 | 331.11 | C10H10O2N3I | O=C(NCCO)c1ccc2n[nH]c(I)c2c1 |
|
AD40888 | 1.01 | 311.14 | C12H11O3N2Br | O=C(NCCO)c1c[nH]c2cc(Br)ccc2c1=O |
|
AD40889 | 0.62 | 308.38 | C16H24O4N2 | CC(C)(C)OC(=O)c1ccc(CC(N)C(=O)NCCO)cc1 |
|
AD40890 | 0.14 | 229.27 | C11H13N6 | CN1CC2(C1)CN(c1ncnc3c1N=C[N]3)C2 |