aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD38001 | 1.75 | 280.31 | C15H14ON5 | COC1(c2ccccc2)CN(c2ncnc3c2N=C[N]3)C1 |
|
AD38002 | 1.74 | 272.33 | C14H18ON5 | OCC1(CNc2ncnc3c2N=C[N]3)CC2(CCC2)C1 |
|
AD38003 | 1.24 | 245.39 | C16H25N2 | c1ccc(C[NH+]2CCC3(CCCNC3)CC2)cc1 |
|
AD38004 | 1.53 | 245.27 | C12H16N2F3 | [NH3+]C1(c2cccc(C(F)(F)F)c2)CCNCC1 |
|
AD38005 | 0.71 | 239.31 | C13H20ON2F | C[NH+]1CCC(COc2cccc(F)c2N)CC1 |
|
AD38006 | 1.69 | 231.36 | C15H23N2 | [NH3+]C1CCC(NC2CC2c2ccccc2)CC1 |
|
AD38007 | 1.19 | 231.36 | C15H23N2 | Nc1ccc2c(c1)CCC([NH+]1CCCC1)CC2 |
|
AD38008 | -0.26 | 279.36 | C15H23O3N2 | COc1ccc(CN2CCC([NH2+]CCO)CC2=O)cc1 |
|
AD38009 | -0.98 | 264.35 | C14H22O2N3 | O=C(NCCO)c1ccc(CC[NH+]2CCCC2)nc1 |
|
AD38010 | -0.87 | 278.38 | C15H24O2N3 | CC[NH+]1CCN(c2ccc(C(=O)NCCO)cc2)CC1 |