aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11051 | 2.64 | 379.19 | C13H12N6I | CNc1nc2c(c(NCc3cccc(I)c3)n1)N=C[N]2 |
|
AD11052 | 2.38 | 213.69 | C10H8ONClS | O=C1CSCN1c1ccc(Cl)cc1 |
|
AD11053 | 2.16 | 213.24 | C13H11O2N | NC(=O)c1cccc(-c2ccc(O)cc2)c1 |
|
AD11054 | 2.55 | 200.24 | C13H12O2 | OCc1cccc(-c2ccc(O)cc2)c1 |
|
AD11055 | 2.4 | 292.32 | C13H12O4N2S | COC(=O)c1sc(-c2ccc(O)cc2)cc1NC(N)=O |
|
AD11056 | 2.85 | 258.27 | C15H14O4 | COC(=O)c1cccc(-c2ccc(O)c(OC)c2)c1 |
|
AD11057 | 1.77 | 697.97 | C38H63O5N7 | NC1CC(N)C(OCc2ccc3ccccc3c2)C(OCCCCCCNC(=O)CCCC(=O)N2CCCNCCNCCCNCC2)C1O |
|
AD11058 | 3.52 | 518.39 | C26H14O12 | O=c1c2c(O)c(-c3cc(O)c4oc5cc(O)cc(O)c5c(=O)c4c3O)c(O)cc2oc2c(O)ccc(O)c12 |
|
AD11059 | 2.18 | 256.26 | C13H11N5F | Fc1ccccc1CCNc1ncnc2c1N=C[N]2 |
|
AD11060 | 0.0 | 272.25 | C11H10O2N7 | COC(=O)Cn1cc(-c2nc(N)c3c(n2)[N]C=N3)cn1 |