aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42621 | 2.48 | 288.67 | C13H7O2N5Cl | O=C(O)c1cc(Cl)cc(Nc2ncnc3c2N=C[N]3)c1 |
|
AD42622 | 1.97 | 359.21 | C9H5O2N5S2Br | O=S(=O)(Nc1ncnc2c1N=C(Br)[N]2)c1ccsc1 |
|
AD42623 | 2.4 | 330.37 | C13H8O2N5S2 | O=S(=O)(Nc1ncnc2c1N=C[N]2)c1cc2ccccc2s1 |
|
AD42624 | 3.41 | 305.38 | C14H11O3NS2 | O=S(=O)(Nc1ccc(O)cc1)c1cc2ccccc2s1 |
|
AD42625 | 2.15 | 322.76 | C13H9O2N5ClS | Cc1cc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)ccc1Cl |
|
AD42626 | 2.46 | 321.77 | C14H10O2N4ClS | Cc1cc(S(=O)(=O)Nc2ncnc3c2C=C[N]3)ccc1Cl |
|
AD42627 | 2.8 | 357.2 | C14H8O2N5Cl2S | Cc1cc(S(=O)(=O)Nc2nc(Cl)nc3c2N=C[N]3)ccc1Cl |
|
AD42628 | 2.76 | 339.76 | C14H9O2N4FClS | Cc1cc(S(=O)(=O)Nc2ncnc3c2C(F)=C[N]3)ccc1Cl |
|
AD42629 | 3.53 | 332.74 | C17H13O4N2Cl | CC(Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1)C(N)=O |
|
AD42630 | 0.17 | 238.27 | C9H10O2N4S | O=c1[nH]cc(NCCc2cncs2)c(=O)[nH]1 |