aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD39421 | 0.35 | 290.32 | C14H18O3N4 | O=C(NCCO)c1ccc2nc(C3CCOCC3)nn2c1 |
|
AD39422 | 1.89 | 271.28 | C14H13O3N3 | CN1C(=O)COc2cc(Nc3ccc(O)cc3)cnc21 |
|
AD39423 | 0.82 | 284.11 | C10H10O2N3Br | O=C(NCCO)c1cc2ccc(Br)cn2n1 |
|
AD39424 | 0.82 | 284.11 | C10H10O2N3Br | O=C(NCCO)c1cn2c(Br)cccc2n1 |
|
AD39425 | 1.35 | 302.34 | C13H12O2N5S | CNS(=O)(=O)c1cccc(Nc2ncnc3c2C=C[N]3)c1 |
|
AD39426 | 1.12 | 282.3 | C15H14O2N4 | O=C(NCCO)c1ccc2nc(-c3ccccc3)nn2c1 |
|
AD39427 | 0.82 | 284.11 | C10H10O2N3Br | O=C(NCCO)c1cccn2c(Br)cnc12 |
|
AD39428 | 0.35 | 303.09 | C9H8O2N4FBr | O=C(NCCO)c1nc2c(Br)cc(F)cn2n1 |
|
AD39429 | 2.37 | 271.32 | C15H17O2N3 | Oc1ccc(Nc2ccc(N3CCOCC3)nc2)cc1 |
|
AD39430 | 0.92 | 294.31 | C14H18O5N2 | COc1cc2cc(C(=O)NCCO)[nH]c2c(OC)c1OC |