aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42021 | 1.01 | 329.19 | C13H17O3N2Br | O=C(NCCO)c1ccc(Br)cc1N1CCOCC1 |
|
AD42022 | 2.03 | 308.38 | C13H12O3N2S2 | CS(=O)(=O)c1cc(C(=O)Nc2ccc(S)cc2)ccn1 |
|
AD42023 | 2.2 | 297.34 | C14H11ON5S | O=C(Nc1ccc(S)cc1)c1cn(-c2cnccn2)cn1 |
|
AD42024 | 0.26 | 351.41 | C16H25O4N5 | CC(C)(C)OC(=O)N1CCN(c2cnc(C(=O)NCCO)cn2)CC1 |
|
AD42025 | 0.41 | 312.39 | C14H20O4N2S | CS(=O)(=O)c1ccc(C(=O)NCCO)c(N2CCCC2)c1 |
|
AD42026 | 1.51 | 350.07 | C8H6O2N5FI | O=C(Nc1nc(I)nc2c1N=C[N]2)OCCF |
|
AD42027 | 1.57 | 290.11 | C10H12O4NBr | COc1cc(Br)c(OC)c(C(N)=O)c1OC |
|
AD42028 | 1.77 | 346.18 | C9H9N5SI | CCNC(=S)Nc1ncnc2c1C(I)=C[N]2 |
|
AD42029 | 1.3 | 347.17 | C8H8N6SI | CCNC(=S)Nc1nc(I)nc2c1N=C[N]2 |
|
AD42030 | 2.39 | 301.34 | C17H19O4N | COc1cc(C(N)=O)ccc1OCCOCc1ccccc1 |