aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD38841 | 0.72 | 300.35 | C14H18ON7 | O=C(N1CCCC1)N1CCN(c2ncnc3c2N=C[N]3)CC1 |
|
AD38842 | -0.77 | 280.35 | C13H22O2N5 | CC([NH3+])CCCCn1c(=O)c2c(ncn2C)n(C)c1=O |
|
AD38843 | -0.05 | 275.38 | C15H23ON4 | Nc1cncc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 |
|
AD38844 | 0.1 | 270.36 | C15H20N5 | c1cncc(-c2cnc3n2CCNC32CC[NH2+]CC2)c1 |
|
AD38845 | 1.19 | 255.34 | C15H19N4 | Cc1ccc(Nc2ncnc3c2CC[NH2+]CC3)cc1 |
|
AD38846 | -1.97 | 255.39 | C13H27ON4 | CN1CCN(CC[NH+](C)C)C(=O)C12CCNCC2 |
|
AD38847 | -0.12 | 268.36 | C12H18O2N3S | O=S1(=O)Nc2ccccc2CN1C1CC[NH2+]CC1 |
|
AD38848 | 0.39 | 250.37 | C14H24ON3 | COc1cc(N2CCC([NH+](C)C)CC2)ccc1N |
|
AD38849 | 1.15 | 256.33 | C14H18N5 | Cc1ccc2nc(NCC[NH3+])c3ncc(C)n3c2c1 |
|
AD38850 | 1.12 | 263.36 | C15H23O2N2 | COC(=O)c1ccc(CNC2CCC([NH3+])CC2)cc1 |