aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43621 | 0.04 | 225.25 | C10H15O3N3 | CC1(C)CC(CNc2c[nH]c(=O)[nH]c2=O)O1 |
|
AD43622 | 2.58 | 331.4 | C16H17O3N3S | O=C(Nc1ccc(S)cc1)c1cnc(OC2CCOCC2)nc1 |
|
AD43623 | 3.24 | 307.41 | C16H21O3NS | O=C(CC1CCC2(CC1)OCCO2)Nc1ccc(S)cc1 |
|
AD43624 | 1.77 | 338.38 | C17H23O4N2F | CC(C)(C)OC(=O)N1CCc2cc(F)ccc2C1C(=O)NCCO |
|
AD43625 | 2.85 | 317.41 | C16H19O2N3S | O=C(Nc1ccc(S)cc1)c1cnn(CC2CCOCC2)c1 |
|
AD43626 | 3.36 | 309.39 | C17H15ON3S | CSc1ccc(-c2cc(C(N)=O)nn2-c2ccccc2)cc1 |
|
AD43627 | 1.28 | 330.36 | C18H19O3N2F | O=C(NC(Cc1ccc(F)cc1)C(=O)NCCO)c1ccccc1 |
|
AD43628 | 2.87 | 310.38 | C16H14ON4S | O=C(Nc1ccc(S)cc1)c1cnn(Cc2ccccn2)c1 |
|
AD43629 | 2.65 | 304.37 | C15H16O3N2S | COCCOc1ccc(C(=O)Nc2ccc(S)cc2)cn1 |
|
AD43630 | 1.97 | 327.35 | C14H11O2N6S | S=C(Nc1ccc2c(c1)OCCO2)Nc1ncnc2c1N=C[N]2 |