aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD34941 | 0.02 | 239.27 | C11H17O3N3 | CC1(C)COc2c(C(=O)NCCO)cnn2C1 |
|
AD34942 | -0.15 | 253.28 | C10H11O3N3S | O=C1CSc2ncc(C(=O)NCCO)cc2N1 |
|
AD34943 | -0.96 | 234.22 | C10H10O3N4 | O=C(NCCO)c1n[nH]c(=O)c2ncccc12 |
|
AD34944 | -0.64 | 235.24 | C11H13O3N3 | Cn1cc(C(=O)NCCO)c(=O)c2cccn21 |
|
AD34945 | 0.1 | 240.65 | C10H9O2N4Cl | O=C(NCCO)c1cnn2ccc(Cl)nc12 |
|
AD34946 | -0.41 | 235.24 | C11H13O3N3 | Cn1c(=O)[nH]c2cccc(C(=O)NCCO)c21 |
|
AD34947 | 1.13 | 218.26 | C11H14ON4 | CC(C)(C)c1cc2ncc(C(N)=O)cn2n1 |
|
AD34948 | -0.87 | 237.21 | C10H11O4N3 | O=C1COc2ccc(C(=O)NCCO)nc2N1 |
|
AD34949 | 0.1 | 240.65 | C10H9O2N4Cl | O=C(NCCO)c1nnc2cccc(Cl)n12 |
|
AD34950 | 1.13 | 218.26 | C11H14ON4 | CC(C)(C)c1nnc2ccc(C(N)=O)cn12 |