aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08531 | 2.74 | 276.73 | C12H7N5ClS | Nc1ncnc2c1N=C(Sc1ccc(Cl)cc1)[N]2 |
|
AD08532 | 0.89 | 554.56 | C26H30O8N6 | CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)OCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O |
|
AD08533 | 1.81 | 486.34 | C17H25O2N7I | O=C(CI)NCCCC(=O)NCCCCCCNc1ncnc2c1N=C[N]2 |
|
AD08534 | 0.55 | 105.16 | C3H7ONS | CN=C(S)OC |
|
AD08535 | 4.27 | 326.31 | C20H10O3N2 | O=C1OC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 |
|
AD08536 | 3.06 | 277.41 | C16H27ON3 | CN(C)CCCNC(=O)Nc1ccc(C(C)(C)C)cc1 |
|
AD08537 | 1.63 | 331.33 | C19H13O3N3 | O=C1Nc2ccccc2C1=C1C(=O)Nc2ncc(C#CCCO)cc21 |
|
AD08538 | 3.17 | 450.45 | C26H18O4N4 | O=C(NCC#Cc1cnc2c(c1)C(=C1C(=O)Nc3ccccc31)C(=O)N2)OCc1ccccc1 |
|
AD08539 | 8.05 | 282.56 | C20H42 | CCCCCCCCCCCCCCCCCCCC |
|
AD08540 | 2.87 | 254.24 | C15H10O4 | O=c1c(O)c(-c2ccccc2)oc2cccc(O)c12 |