aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD33621 | 0.28 | 230.28 | C11H19O2N2F | O=CN1CCOC2CN(CCCCF)CC21 |
|
AD33622 | 0.78 | 219.29 | C12H17ON3 | NC(=O)C1CCN(Cc2ccccn2)CC1 |
|
AD33623 | 0.4 | 251.36 | C6H9O2N3S3 | O=C(CSc1n[nH]c(=S)s1)NCCO |
|
AD33624 | -0.88 | 229.32 | C11H23O2N3 | CC(C)N1CCN(CC(=O)NCCO)CC1 |
|
AD33625 | -0.37 | 229.26 | C8H11O3N3S | CSc1ncc(O)c(C(=O)NCCO)n1 |
|
AD33626 | 0.54 | 219.29 | C12H17ON3 | CN1CCN(c2ccccc2C(N)=O)CC1 |
|
AD33627 | 0.68 | 252.28 | C9H10O2N5S | O=S(=O)(Nc1ncnc2c1N=C[N]2)C1CCC1 |
|
AD33628 | 0.53 | 233.31 | C13H19ON3 | CN1CCN(Cc2ccccc2C(N)=O)CC1 |
|
AD33629 | 1.17 | 219.69 | C9H10O2NClS | NS(=O)(=O)CCc1ccc(Cl)cc1 |
|
AD33630 | -0.37 | 238.21 | C7H8O3N2F2S | O=S(=O)(NCCO)c1ncc(F)cc1F |