aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD37821 | 0.97 | 283.27 | C9H8O2N6FS | CCOC(=O)NC(=S)Nc1nc(F)nc2c1N=C[N]2 |
|
AD37822 | 1.61 | 282.33 | C14H16N7 | Cn1nc2c(c1CNc1ncnc3c1N=C[N]3)CCCC2 |
|
AD37823 | 2.27 | 247.32 | C12H13ON3S | Cc1cnn(C)c1C(=O)Nc1ccc(S)cc1 |
|
AD37824 | 1.03 | 276.34 | C15H20O3N2 | O=C(NCCO)c1ccc(C(=O)N2CCCCC2)cc1 |
|
AD37825 | 1.35 | 282.28 | C14H12O2N5 | OC1(c2ccc(Nc3ncnc4c3N=C[N]4)cc2)COC1 |
|
AD37826 | 2.49 | 250.04 | C8H6ONF2Br | NC(=O)c1ccc(C(F)F)c(Br)c1 |
|
AD37827 | 1.87 | 283.34 | C13H11N6S | S=C(NCc1ccccc1)Nc1ncnc2c1N=C[N]2 |
|
AD37828 | 1.29 | 282.28 | C14H12O2N5 | OC1c2ccccc2OCC1Nc1ncnc2c1N=C[N]2 |
|
AD37829 | 1.98 | 253.3 | C13H19O4N | CCOc1cc(C(N)=O)cc(OCC)c1OCC |
|
AD37830 | 1.53 | 274.3 | C13H16O2N5 | COC(=O)C1CCC(Nc2ncnc3c2N=C[N]3)CC1 |