aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12441 | 1.42 | 331.15 | C13H9ON5Br | NC(=O)C1=C(c2ccc(Br)cc2)[N]c2ncnc(N)c21 |
|
AD12442 | -0.01 | 241.23 | C11H9ON6 | NC(=O)C1=C(c2ccc[nH]2)[N]c2ncnc(N)c21 |
|
AD12443 | 5.16 | 488.71 | C30H48O5 | CC(C)CCCC1(C)OC(=O)C23C(O)CC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13O |
|
AD12444 | -2.71 | 285.26 | C11H15O6N3 | O=CNCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1 |
|
AD12445 | 4.25 | 342.43 | C21H20N5 | Cc1cccc(C(CNc2ncnc3c2N=C[N]3)c2cccc(C)c2)c1 |
|
AD12446 | -0.23 | 826.06 | C35H72O9N9PS | COP(O)(=S)OCCCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCCCCCCO |
|
AD12447 | 0.04 | 181.2 | C6H5ON4S | CSC1=N[N]c2nc[nH]c(=O)c21 |
|
AD12448 | 1.32 | 179.43 | C6H5O2Cl3 | OCOCC(Cl)(Cl)Cl |
|
AD12449 | 2.18 | 260.29 | C15H16O4 | Cc1cc(=O)c2cc3c(cc2o1)OC(C)(C)C(O)C3 |
|
AD12450 | 1.68 | 285.77 | C15H20O3NCl | CC1OC(O)CC(C)(NCc2ccccc2Cl)C1O |