aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44021 | 5.0 | 290.39 | C18H14N2S | CCc1cc(-c2cccc3ccccc23)c(C#N)c(=S)[nH]1 |
|
AD44022 | -1.23 | 127.1 | C4H5O2N3 | Cc1n[nH]c(=O)[nH]c1=O |
|
AD44023 | 4.6 | 318.5 | C21H34O2 | CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C |
|
AD44024 | 1.06 | 151.16 | C8H9O2N | COC(=O)c1cccc(N)c1 |
|
AD44025 | 1.15 | 137.18 | C8H11ON | COc1ccccc1CN |
|
AD44026 | 1.81 | 120.15 | C8H8O | Cc1cccc(C=O)c1 |
|
AD44027 | 3.93 | 312.5 | C18H36O2N2 | CC(C)CCCCCCCCCCCCC(=O)NCC(N)=O |
|
AD44028 | 4.86 | 280.37 | C19H20O2 | Oc1ccc(C(=C2CCCCC2)c2ccc(O)cc2)cc1 |
|
AD44029 | 3.18 | 262.69 | C15H11O3Cl | O=C(Cc1ccc(Cl)cc1)c1ccc(O)cc1O |
|
AD44030 | 2.93 | 259.29 | C13H9O3NS | Cc1oc2cc(O)ccc2c(=O)c1-c1cscn1 |