aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05121 | 2.4 | 301.13 | C13H10O2N4Cl2 | O=C(O)NCc1cn(Cc2ccc(Cl)cc2Cl)nn1 |
|
AD05122 | 2.54 | 420.32 | C16H16ON6SBr | Nc1ncnc2c1N=C(SCCC(=O)NCCc1cccc(Br)c1)[N]2 |
|
AD05123 | 5.82 | 342.66 | C17H8N2Cl3S | Clc1ccc(CSC2=Nc3cc(Cl)c(Cl)cc3[N]2)cc1 |
|
AD05124 | 3.7 | 249.31 | C17H15ON | Cc1cc(-c2cccc3cnccc23)ccc1CO |
|
AD05125 | 3.18 | 806.06 | C42H71O10N5 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCN(CCC#N)C(=O)Nc2ccccc2)C(C)C(O)C1(C)O |
|
AD05126 | 2.15 | 285.31 | C14H14N6F | CC(Cc1ccc(F)cc1)Nc1nc(N)c2c(n1)[N]C=N2 |
|
AD05127 | 5.27 | 324.8 | C19H19OF2Cl | CCc1ccc(Cc2ccc(COCC(F)F)cc2Cl)cc1 |
|
AD05128 | 8.1 | 498.79 | C33H54O3 | CCCOC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2 |
|
AD05129 | 1.89 | 366.41 | C19H26O7 | CC(C)(C)C(=O)OCC1=CC(OC(=O)C(C)(C)C)C2=CC(=O)OC(O)C12 |
|
AD05130 | 0.49 | 362.33 | C18H18O8 | COC(=O)C1=COC(O)C2C(COC(=O)c3ccc(O)cc3)=CC(O)C12 |