aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43211 | 3.33 | 332.4 | C17H17O2N2FS | O=C(c1cc(Nc2ccc(S)cc2)ccc1F)N1CCOCC1 |
|
AD43212 | 2.22 | 362.19 | C14H12O2N5Br | CCc1c(Br)cccc1C(=O)Nc1ncnc2[nH]c(=O)[nH]c12 |
|
AD43213 | 2.75 | 316.33 | C17H17O3N2F | O=C(c1cc(Nc2ccc(O)cc2)ccc1F)N1CCOCC1 |
|
AD43214 | 3.38 | 280.33 | C17H16O2N2 | NCc1coc(-c2ccc(OCc3ccccc3)cc2)n1 |
|
AD43215 | 4.09 | 281.4 | C19H23ON | CC(NC1CCC1OCc1ccccc1)c1ccccc1 |
|
AD43216 | 3.19 | 310.37 | C16H23O3N2F | CC(C)(C)OC(=O)N1CCC(Oc2c(N)cccc2F)CC1 |
|
AD43217 | 2.62 | 314.41 | C16H18ON4S | O=C(Nc1ccc(S)cc1)C1CCCN(c2ccncn2)C1 |
|
AD43218 | 3.34 | 322.42 | C18H27O2N2F | CC(C)(C)OC(=O)N1CCC(CN)(Cc2ccc(F)cc2)CC1 |
|
AD43219 | 3.05 | 300.38 | C16H16O2N2S | COc1cccnc1C1(C(=O)Nc2ccc(S)cc2)CC1 |
|
AD43220 | 3.72 | 315.17 | C14H11N4Br | Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |