aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43771 | 2.82 | 309.41 | C17H26O2N2F | Cc1cc(F)ccc1C1CC([NH3+])CCN1C(=O)OC(C)(C)C |
|
AD43772 | 0.26 | 331.43 | C16H31O5N2 | CC(C)(C)OC(=O)C1CC([NH2+]CCO)CN1C(=O)OC(C)(C)C |
|
AD43773 | 1.01 | 344.47 | C18H34O5N | CC(C)(C)OC(=O)C1CCC([NH2+]CCO)CC1C(=O)OC(C)(C)C |
|
AD43774 | 0.61 | 328.23 | C14H20O2N2Br | O=C(c1ccc(Br)cc1)N1CCC([NH2+]CCO)CC1 |
|
AD43775 | 2.45 | 315.23 | C14H21O2NBr | COCOC1(c2ccc(Br)cc2)CCC([NH3+])CC1 |
|
AD43776 | 2.33 | 351.15 | C12H10N5I | Cc1c[nH+]ccc1Nc1ncnc2c1C(I)=C[N]2 |
|
AD43777 | 0.47 | 240.7 | C10H13N6Cl | CC([NH3+])CCNc1nc(Cl)nc2c1N=C[N]2 |
|
AD43778 | 2.33 | 351.15 | C12H10N5I | Cc1cc(Nc2ncnc3c2C(I)=C[N]3)cc[nH+]1 |
|
AD43779 | 1.34 | 306.37 | C17H18N6 | C1=Nc2c(ncnc2N=C2CC[NH+](Cc3ccccc3)CC2)[N]1 |
|
AD43780 | 0.08 | 165.22 | C8H13N4 | Nc1cc(N2CCCC2)[nH+]cn1 |