aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD33461 | 2.42 | 233.25 | C14H9N4 | C#Cc1cccc(Nc2ncnc3c2C=C[N]3)c1 |
|
AD33462 | 1.82 | 239.26 | C12H11N6 | C=CCn1cc(Nc2ncnc3c2C=C[N]3)cn1 |
|
AD33463 | 1.85 | 225.33 | C13H23O2N | CC#CCCCCCCCC(=O)NCCO |
|
AD33464 | 2.49 | 193.27 | C10H11ONS | C=C(C)C(=O)Nc1ccc(S)cc1 |
|
AD33465 | 1.73 | 235.25 | C13H9N5 | N#Cc1ccc(Nc2[nH+]cnc3c2C=C[N]3)cc1 |
|
AD33466 | 0.65 | 218.36 | C12H28O2N | CCCCCCCCC(O)C[NH2+]CCO |
|
AD33467 | 3.64 | 178.27 | C12H18O | CC(C)c1cccc(C(C)C)c1O |
|
AD33468 | 3.04 | 237.72 | C11H8N3ClS | Nc1nc(=S)[nH]cc1-c1ccccc1Cl |
|
AD33469 | 3.6 | 250.68 | C14H11O3Cl | Cc1occc1C(=O)OCc1ccc(Cl)cc1 |
|
AD33470 | 3.17 | 238.24 | C15H10O3 | O=c1cc(-c2ccccc2)c2ccc(O)cc2o1 |