aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD32401 | 0.83 | 226.3 | C10H14O2N2S | CSc1ncc(C(=O)NCCO)cc1C |
|
AD32402 | 1.02 | 223.15 | C8H8O3NF3 | O=C(NCCO)c1ccc(C(F)(F)F)o1 |
|
AD32403 | 1.7 | 239.26 | C12H11N6 | Cc1ncccc1CNc1ncnc2c1N=C[N]2 |
|
AD32404 | 1.37 | 232.27 | C11H14ON5 | CCOC1(C)CC1Nc1ncnc2c1N=C[N]2 |
|
AD32405 | 1.22 | 240.67 | C10H11ON5Cl | CCC(O)CNc1nc(Cl)nc2c1N=C[N]2 |
|
AD32406 | 1.18 | 223.23 | C10H12ON4F | CCC(O)CNc1ncnc2c1C(F)=C[N]2 |
|
AD32407 | 1.45 | 218.22 | C10H9N5F | FC1=CCCN(c2ncnc3c2N=C[N]3)C1 |
|
AD32408 | 1.27 | 221.26 | C9H9ON4S | C1=Nc2c(ncnc2SC2CCOC2)[N]1 |
|
AD32409 | 0.78 | 211.22 | C10H13O4N | COc1ccc(OC(=O)NCCO)cc1 |
|
AD32410 | 1.12 | 217.26 | C10H13N6 | CCCC=Cn1c(N)c2c(nc1=N)[N]C=N2 |