aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD34951 | 0.01 | 234.26 | C11H14O2N4 | CCc1nnc2c(C(=O)NCCO)cccn12 |
|
AD34952 | -0.54 | 236.23 | C10H12O3N4 | COc1cccn2c(C(=O)NCCO)nnc12 |
|
AD34953 | 1.13 | 218.26 | C11H14ON4 | CC(C)(C)c1nnc2cc(C(N)=O)ccn12 |
|
AD34954 | 0.06 | 235.24 | C11H13O3N3 | COc1cccc2nc(C(=O)NCCO)cn12 |
|
AD34955 | 0.95 | 216.24 | C12H12O2N2 | Cc1c(C(N)=O)c(=O)c2ccccc2n1C |
|
AD34956 | 0.84 | 246.29 | C12H16ON5 | CC1CN(c2ncnc3c2N=C[N]3)CC1(C)CO |
|
AD34957 | 0.06 | 235.24 | C11H13O3N3 | COc1ccc2nc(C(=O)NCCO)cn2c1 |
|
AD34958 | -0.02 | 236.27 | C12H16O3N2 | O=C(NCCO)c1c[nH]c2c(c1=O)CCCC2 |
|
AD34959 | 0.61 | 233.23 | C11H11O3N3 | CCOC(=O)c1cnn2ccc(C(N)=O)cc12 |
|
AD34960 | 0.06 | 235.24 | C11H13O3N3 | COc1ccc2c(C(=O)NCCO)cnn2c1 |