aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42681 | 2.65 | 291.37 | C15H17O3NS | CCOC(=O)C12CC(C(=O)Nc3ccc(S)cc3)(C1)C2 |
|
AD42682 | 1.99 | 356.15 | C11H11ON5I | O=C(NCC1CC1)Nc1ncnc2c1C(I)=C[N]2 |
|
AD42683 | 1.32 | 305.12 | C10H12O2NI | Cc1cc(C(=O)NCCO)ccc1I |
|
AD42684 | 2.32 | 321.36 | C17H17ON6 | C1=Nc2c(ncnc2N2CCC(Oc3ccc(C4CC4)cn3)C2)[N]1 |
|
AD42685 | 2.71 | 335.39 | C18H19ON6 | C1=Nc2c(ncnc2N2CCCC(Oc3ccc(C4CC4)cn3)C2)[N]1 |
|
AD42686 | 2.18 | 257.4 | C14H29O2N2 | CCC1CC([NH3+])CC(CC)N1C(=O)OC(C)(C)C |
|
AD42687 | 1.7 | 342.15 | C12H11O2N4FBr | CCOc1ccc(F)c(NC2=C(C(N)=O)N=C[N]2)c1Br |
|
AD42688 | 1.66 | 328.4 | C17H22O2N5 | CCCN(CCC)C(=O)c1ccc(NC2=C(C(N)=O)N=C[N]2)cc1 |
|
AD42689 | 2.62 | 329.36 | C16H18ON6F | O=C(Nc1nc(F)nc2c1N=C[N]2)NC12CC3CC(CC(C3)C1)C2 |
|
AD42690 | 2.48 | 311.37 | C16H19ON6 | O=C(Nc1ncnc2c1N=C[N]2)NC12CC3CC(CC(C3)C1)C2 |