aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05611 | 2.54 | 282.33 | C15H16ON5 | CC(CCOc1nc(N)c2c(n1)[N]C=N2)c1ccccc1 |
|
AD05612 | 4.66 | 298.37 | C15H14ON4S | COc1ccc(N=Nc2c(C)[nH]c(=S)c(C#N)c2C)cc1 |
|
AD05613 | 3.86 | 729.96 | C40H63O9N3 | COC1(C)CC(C)C(O)C(C)CN(C)CC(COc2ccc(-c3cccnc3)cc2)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1O |
|
AD05614 | 1.27 | 145.17 | C8H7N3 | c1ccc(-n2nccn2)cc1 |
|
AD05615 | -0.27 | 352.41 | C13H24O7N2S | COCC(=O)N(CCOS(=O)(=O)O)CC(=O)NC1CCCCC1 |
|
AD05616 | 0.55 | 317.35 | C15H19O3N5 | CCC(=O)Nc1cccc(C(=O)NCc2cn(CCO)nn2)c1 |
|
AD05617 | 1.85 | 143.19 | C6H13ON3 | [N-]=[N+]=NCCCCCCO |
|
AD05618 | 10.38 | 712.75 | C35H54O11P2 | CCCCCCCCCCCCCCC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(=O)CCCC)cc2)OP(=O)(O)OC)cc1 |
|
AD05619 | 1.84 | 277.36 | C10H9N6S2 | CSc1nc2c(c(SC)n1)-c1c(N)ncnc1[N]2 |
|
AD05620 | -0.29 | 135.13 | C5H5N5 | Nc1ncnn2ccnc12 |