aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42051 | 2.17 | 306.36 | C16H22O4N2 | CC(C)(C)OC(=O)N1CCC(Oc2cccc(C(N)=O)c2)C1 |
|
AD42052 | -0.72 | 241.25 | C10H15O4N3 | COC1COCCC1Nc1c[nH]c(=O)[nH]c1=O |
|
AD42053 | 2.38 | 291.38 | C14H17O2N3S | COCCn1nc(C)cc1C(=O)Nc1ccc(S)cc1 |
|
AD42054 | 0.73 | 310.17 | C9H12O4NSBr | COc1ccc(S(=O)(=O)NCCO)c(Br)c1 |
|
AD42055 | -0.75 | 211.22 | C9H13O3N3 | O=c1[nH]cc(NC2CC(CO)C2)c(=O)[nH]1 |
|
AD42056 | 2.24 | 297.34 | C15H11O2N3S | O=C(Nc1ccc(S)cc1)c1cnc2ccccn2c1=O |
|
AD42057 | 2.04 | 304.37 | C15H16O3N2S | COCCn1c(C(=O)Nc2ccc(S)cc2)cccc1=O |
|
AD42058 | 2.04 | 304.37 | C15H16O3N2S | COCCn1cc(C(=O)Nc2ccc(S)cc2)ccc1=O |
|
AD42059 | 2.14 | 331.4 | C16H17O3N3S | O=C(Nc1ccc(S)cc1)c1cnc(=O)n(C2CCOCC2)c1 |
|
AD42060 | 1.35 | 362.18 | C9H9ON5SI | COCNC(=S)Nc1ncnc2c1C(I)=C[N]2 |