aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD39031 | 0.8 | 279.4 | C16H27O2N2 | CC[NH+](CCCC(N)=O)C(C)Cc1ccc(OC)cc1 |
|
AD39032 | -0.09 | 304.4 | C15H24ON6 | CCCC1CN(c2ncnc3c2N=C[N]3)CC[NH+]1CCOC |
|
AD39033 | 0.35 | 300.39 | C14H16N6S | C1=Nc2c(ncnc2N2CC[NH+](Cc3ccsc3)CC2)[N]1 |
|
AD39034 | -0.42 | 315.43 | C16H25N7 | C[NH+]1CCCCC1CN1CCN(c2ncnc3c2N=C[N]3)CC1 |
|
AD39035 | 1.23 | 297.37 | C15H19N7 | CCc1[nH+]ccn1CC1CCCN1c1ncnc2c1N=C[N]2 |
|
AD39036 | 0.25 | 309.38 | C16H19N7 | CC(c1cccnc1)[NH+]1CCN(c2ncnc3c2N=C[N]3)CC1 |
|
AD39037 | 0.42 | 298.39 | C16H22N6 | C1=Nc2c(ncnc2N2CCC3C(CCC[NH+]3C3CC3)C2)[N]1 |
|
AD39038 | 0.84 | 295.35 | C15H17N7 | Cc1cc[nH+]c(N2CCN(c3ncnc4c3N=C[N]4)CC2)c1 |
|
AD39039 | 0.33 | 308.39 | C17H20N6 | C[NH+]1CCN(c2ncnc3c2N=C[N]3)CC1Cc1ccccc1 |
|
AD39040 | -0.48 | 291.37 | C16H23O3N2 | C[NH+]1C(C(=O)NCCO)CC2(C)COc3ccccc3C12 |