aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD39011 | 1.86 | 308.37 | C16H18N7 | C1=Nc2c(ncnc2NC2CCN(Cc3ccncc3)CC2)[N]1 |
|
AD39012 | 1.83 | 305.32 | C15H13N8 | C1=Nc2c(ncnc2NCCc2cc(-c3ccncc3)[nH]n2)[N]1 |
|
AD39013 | 0.44 | 294.36 | C16H18N6 | C1=Nc2c(ncnc2NCC[NH+]2CCc3ccccc3C2)[N]1 |
|
AD39014 | -0.35 | 303.41 | C15H25N7 | CC[NH+]1CCN(CC(C)CNc2ncnc3c2N=C[N]3)CC1 |
|
AD39015 | 0.0 | 310.36 | C16H18ON6 | Oc1cccc(C[NH+]2CCN(c3ncnc4c3N=C[N]4)CC2)c1 |
|
AD39016 | -0.34 | 302.38 | C15H22ON6 | C1=Nc2c(ncnc2N2CCCCC2C[NH+]2CCOCC2)[N]1 |
|
AD39017 | 0.27 | 304.4 | C15H24ON6 | CC1C[NH+](CCCCNc2ncnc3c2N=C[N]3)CC(C)O1 |
|
AD39018 | 0.75 | 252.41 | C13H22N3S | Cc1nc(C[NH+]2CCCC23CCNCC3)cs1 |
|
AD39019 | 0.63 | 263.36 | C15H23O2N2 | CCOC(=O)C1CC[NH+](Cc2cccc(N)c2)CC1 |
|
AD39020 | 1.21 | 259.29 | C13H18N2F3 | NC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 |