aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD39441 | 2.06 | 279.27 | C13H14O3N3F | CC(C)(C)OC(=O)n1nc(C(N)=O)c2cc(F)ccc21 |
|
AD39442 | 1.58 | 276.27 | C14H13O3N2F | COc1c(F)ccc2c(=O)c(C(N)=O)cn(C3CC3)c12 |
|
AD39443 | 0.75 | 306.73 | C14H13O2N5Cl | CN(C)C(=O)c1cc(NC2=C(C(N)=O)N=C[N]2)ccc1Cl |
|
AD39444 | 0.77 | 316.32 | C15H15O2N5F | NC(=O)C1=C(Nc2cc(C(=O)N3CCCC3)ccc2F)[N]C=N1 |
|
AD39445 | 0.82 | 284.11 | C10H10O2N3Br | O=C(NCCO)c1cc2c(Br)cccn2n1 |
|
AD39446 | 1.48 | 293.11 | C9H7N7Br | Brc1c[nH]nc1CNc1ncnc2c1N=C[N]2 |
|
AD39447 | 1.62 | 265.26 | C13H9ON6 | O=C1Cc2cc(Nc3ncnc4c3N=C[N]4)ccc2N1 |
|
AD39448 | 0.42 | 284.7 | C13H13O4N2Cl | CN1C(=O)COc2c(C(=O)NCCO)cc(Cl)cc21 |
|
AD39449 | 0.9 | 288.1 | C10H10O4NBr | O=C(NCCO)c1cc(Br)c2c(c1)OCO2 |
|
AD39450 | 1.05 | 284.11 | C10H10O2N3Br | O=C(NCCO)c1nc2[nH]ccc2cc1Br |