aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD39431 | 0.59 | 289.33 | C15H19O3N3 | COc1ccc(Cn2cc(CC(=O)NCCO)cn2)cc1 |
|
AD39432 | 2.3 | 270.08 | C10H8O3NBr | COc1cc2oc(C(N)=O)cc2cc1Br |
|
AD39433 | 0.88 | 268.26 | C12H10ON7 | CNC(=O)c1cc(Nc2ncnc3c2N=C[N]3)ccn1 |
|
AD39434 | 0.19 | 293.33 | C12H13O3N4S | CCS(=O)(=O)c1cccc(NC2=C(C(N)=O)N=C[N]2)c1 |
|
AD39435 | 1.11 | 296.12 | C11H10O2N3Br | O=C(NCCO)c1ncnc2ccc(Br)cc12 |
|
AD39436 | 1.05 | 284.11 | C10H10O2N3Br | O=C(NCCO)c1c[nH]c2cc(Br)cnc12 |
|
AD39437 | 1.05 | 284.11 | C10H10O2N3Br | O=C(NCCO)c1cccc2c(Br)[nH]nc12 |
|
AD39438 | 0.88 | 290.14 | C8H8O2N3SBr | O=C(NCCO)c1cn2cc(Br)sc2n1 |
|
AD39439 | 0.6 | 299.31 | C15H15O3N4 | COC(=O)C1(c2ccc(NC3=C(C(N)=O)N=C[N]3)cc2)CC1 |
|
AD39440 | 1.99 | 295.12 | C10H9ON5Br | BrC1=Nc2c(ncnc2N=C2CCOCC2)[N]1 |