aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43631 | 2.28 | 326.36 | C15H12O2N5S | S=C(Nc1ccc2c(c1)OCCO2)Nc1ncnc2c1C=C[N]2 |
|
AD43632 | 2.65 | 304.37 | C15H16O3N2S | COCCOc1cnccc1C(=O)Nc1ccc(S)cc1 |
|
AD43633 | 3.12 | 310.38 | C16H14ON4S | Cc1cc(C(=O)Nc2ccc(S)cc2)n(-c2cccnc2)n1 |
|
AD43634 | 2.95 | 301.37 | C15H15O2N3S | O=C(Nc1ccc(S)cc1)c1nccc(OC2CCC2)n1 |
|
AD43635 | 3.18 | 330.41 | C17H18O3N2S | O=C(Nc1ccc(S)cc1)c1ccncc1OC1CCOCC1 |
|
AD43636 | 2.65 | 333.17 | C13H11ON5Br | Cc1cc(Nc2ncnc3c2N=C(Br)[N]3)ccc1CO |
|
AD43637 | 2.89 | 293.39 | C15H19O3NS | COC(=O)C1CCCC(C(=O)Nc2ccc(S)cc2)C1 |
|
AD43638 | 2.57 | 344.35 | C15H11O2N5FS | FC1=C[N]c2ncnc(NC(=S)Nc3ccc4c(c3)OCCO4)c21 |
|
AD43639 | 2.62 | 361.79 | C15H10O2N6ClS | S=C(Nc1ccc2c(c1)OCCO2)Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD43640 | 2.95 | 301.37 | C15H15O2N3S | O=C(Nc1ccc(S)cc1)c1ccnc(OC2CCC2)n1 |