aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD41991 | 1.85 | 316.39 | C15H16O2N4S | O=C(Nc1ccc(S)cc1)c1cncc(N2CCOCC2)n1 |
|
AD41992 | 1.7 | 322.32 | C14H17O3N5F | COC(=O)C(CC(C)C)NC(=O)Nc1ncnc2c1C(F)=C[N]2 |
|
AD41993 | 1.75 | 339.76 | C14H16O3N6Cl | COC(=O)C(CC(C)C)NC(=O)Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD41994 | 0.73 | 310.17 | C9H12O4NSBr | COc1ccc(Br)cc1S(=O)(=O)NCCO |
|
AD41995 | 1.74 | 342.12 | C10H9ON5I | O=C(Nc1ncnc2c1C(I)=C[N]2)NC1CC1 |
|
AD41996 | 1.27 | 343.11 | C9H8ON6I | O=C(Nc1nc(I)nc2c1N=C[N]2)NC1CC1 |
|
AD41997 | 0.99 | 327.4 | C15H21O5NS | CCS(=O)(=O)c1ccc(OCC2CC2)c(C(=O)NCCO)c1 |
|
AD41998 | 1.17 | 334.36 | C15H20O4N5 | COC(=O)C(COC(C)(C)C)NC(=O)Nc1ncnc2c1C=C[N]2 |
|
AD41999 | 1.71 | 291.09 | C9H10O2NI | COc1cc(C)c(I)cc1C(N)=O |
|
AD42000 | 2.12 | 304.09 | C7H5O2NF3SBr | NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br |