aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43721 | 1.22 | 311.14 | C12H11O3N2Br | O=C(NCCO)C(=O)c1c[nH]c2ccc(Br)cc12 |
|
AD43722 | 2.08 | 318.37 | C17H22O4N2 | CC(C)(C)OC(=O)n1cc(CC(=O)NCCO)c2ccccc21 |
|
AD43723 | 1.71 | 308.38 | C16H24O4N2 | CN(C(=O)OC(C)(C)C)c1ccc(CC(=O)NCCO)cc1 |
|
AD43724 | 1.95 | 315.74 | C15H12ON6Cl | CC(C(=O)n1c(N)c2c(nc1=N)[N]C=N2)c1ccccc1Cl |
|
AD43725 | 2.92 | 318.72 | C15H10ON5FCl | CC(C(=O)Nc1nc(F)nc2c1N=C[N]2)c1ccccc1Cl |
|
AD43726 | 2.49 | 345.36 | C19H15O2N5 | O=C(Cc1cccc(-c2ccccc2)c1)Nc1ncnc2[nH]c(=O)[nH]c12 |
|
AD43727 | 0.22 | 213.21 | C9H12O2N3F | O=c1[nH]cc(NCC2CC(F)C2)c(=O)[nH]1 |
|
AD43728 | 3.28 | 326.42 | C18H18O2N2S | Cc1cccc(N2CCC(C(=O)Nc3ccc(S)cc3)C2=O)c1 |
|
AD43729 | 0.33 | 239.65 | C9H8ON6Cl | NC(=O)CCNc1nc(Cl)nc2c1N=C[N]2 |
|
AD43730 | 3.39 | 290.39 | C15H18O2N2S | O=C(Nc1ccc(S)cc1)C1=NOC2(CCCCC2)C1 |