aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD15901 | 4.15 | 258.15 | C12H7N2Cl2S | C=CCSC1=Nc2cc(Cl)c(Cl)cc2[N]1 |
|
AD15902 | -4.0 | 1073.28 | C44H68O10N18S2 | Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCCCN)cs2)cs1)C(C)O)C(O)c1cnc[nH]1 |
|
AD15903 | 0.35 | 206.19 | C8H8O2N5 | COc1nc(NC(C)=O)nc2c1N=C[N]2 |
|
AD15904 | 2.81 | 364.27 | C13H9ON9F3 | Nc1nc(N=NNC(=O)Nc2cccc(C(F)(F)F)c2)nc2c1N=C[N]2 |
|
AD15905 | 1.36 | 333.34 | C16H19O5N3 | COCc1cn(CCc2c(O)c3c(c(C)c2OC)COC3=O)nn1 |
|
AD15906 | 1.8 | 167.6 | C8H6N3Cl | Nc1nc(Cl)cc2[nH]ccc12 |
|
AD15907 | 2.4 | 315.74 | C15H12ON6Cl | O=C(NCCc1ccccc1Cl)Nc1ncnc2c1N=C[N]2 |
|
AD15908 | 3.97 | 549.54 | C28H27O9N3 | COc1cc2c(cc1OCc1ccccc1)N(C(=O)OCc1ccc(O)c([N+](=O)[O-])c1)C(O)C1CCCN1C2=O |
|
AD15909 | -0.97 | 112.07 | C3H2O2N3 | O=C(O)C1=N[N]C=N1 |
|
AD15910 | 1.01 | 152.16 | C4H2N5S | Sc1ncnc2c1N=N[N]2 |