aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD35441 | 1.76 | 246.29 | C12H16ON5 | COCC1(Nc2ncnc3c2N=C[N]3)CCCC1 |
|
AD35442 | 1.74 | 254.28 | C12H12N7 | Cn1nc(Nc2ncnc3c2N=C[N]3)cc1C1CC1 |
|
AD35443 | 0.46 | 266.67 | C11H9O2N5Cl | COc1nccc(NC2=C(C(N)=O)N=C[N]2)c1Cl |
|
AD35444 | 1.14 | 260.28 | C12H14O2N5 | CCOC(=O)C1(CNc2ncnc3c2N=C[N]3)CC1 |
|
AD35445 | 1.39 | 258.31 | C13H16ON5 | CC1(C2CC2)CN(c2ncnc3c2N=C[N]3)CCO1 |
|
AD35446 | 1.87 | 252.25 | C11H12N5F2 | CC1CN(c2ncnc3c2N=C[N]3)CCC1(F)F |
|
AD35447 | 0.26 | 260.34 | C13H20N6 | C[NH+](C)C1(CNc2ncnc3c2N=C[N]3)CCCC1 |
|
AD35448 | 0.55 | 260.35 | C13H20N6 | CC1(C)CCC[NH2+]C1CNc1ncnc2c1N=C[N]2 |
|
AD35449 | -0.11 | 260.34 | C13H20N6 | CN(CC[NH+]1CCCCC1)c1ncnc2c1N=C[N]2 |
|
AD35450 | 0.26 | 260.34 | C13H20N6 | C1=Nc2c(ncnc2NCC[NH+]2CCCCCC2)[N]1 |