aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD36751 | 0.97 | 242.32 | C12H22O3N2 | CC(C)(C)OC(=O)N1CC2(COC(CN)C2)C1 |
|
AD36752 | 1.76 | 238.31 | C13H19ON2F | COc1ccc(F)c(CN2CCC(N)CC2)c1 |
|
AD36753 | 2.02 | 238.29 | C14H14N4 | Cn1c(C(N)c2ccccn2)nc2ccccc21 |
|
AD36754 | 1.08 | 240.33 | C11H16O2N2S | NCc1ccc(N2CCCCS2(=O)=O)cc1 |
|
AD36755 | 1.56 | 228.3 | C13H16N4 | NC1CCN(c2cnc3ccccc3n2)CC1 |
|
AD36756 | 1.55 | 240.31 | C14H16N4 | c1cnc(-c2ccc(N3CCNCC3)cc2)nc1 |
|
AD36757 | 1.99 | 242.26 | C13H11N4F | NCc1ccc2nnc(-c3ccc(F)cc3)n2c1 |
|
AD36758 | 1.93 | 228.09 | C9H10ONBr | Brc1ccc2c(c1)CNCCO2 |
|
AD36759 | 1.63 | 231.25 | C12H13O2N3 | CCOC(=O)c1ccc(-n2cccn2)cc1N |
|
AD36760 | 1.43 | 247.3 | C13H17O2N3 | COc1cc2ccn(C(=O)CN(C)C)c2cc1N |