aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05431 | 4.99 | 473.54 | C25H25O4NF2S | CS(=O)(=O)Oc1ccc(C2C(CCC(O)c3ccc(F)cc3)CN2c2ccc(F)cc2)cc1 |
|
AD05432 | 3.55 | 355.4 | C16H15O2N6S | O=[N+]([O-])c1ccc(CSc2nc(NC3CCC3)nc3c2N=C[N]3)cc1 |
|
AD05433 | 1.43 | 240.27 | C11H6N5S | Nc1nc(C#Cc2cccs2)nc2c1N=C[N]2 |
|
AD05434 | -0.54 | 599.55 | C29H29O13N | COC(=O)C1c2cc3c(c(O)c2C(O)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(O)C(N(C)C=O)C1O |
|
AD05435 | 1.82 | 449.51 | C24H27O4N5 | CN(C)CCN(C)C(=O)c1ccc2c(c1)C(=C1Nc3ccccc3C1=NOCCO)C(=O)N2 |
|
AD05436 | 6.93 | 472.75 | C31H52O3 | COC1C=C2C(CCC(O)C2(C)C)C2(C)CCC3(C)C(C(C)CC(O)C=C(C)C)CCC3(C)C12 |
|
AD05437 | -0.62 | 150.12 | C5H4ON5 | NC1=Nc2c(O)ncnc2[N]1 |
|
AD05438 | 0.71 | 179.16 | C6H7ON6 | CCOc1nc(N)c2c(n1)[N]N=N2 |
|
AD05439 | 3.23 | 243.12 | C12H10N3Cl2 | CCCNC1=Nc2cc(Cl)c(Cl)cc2[N]1 |
|
AD05440 | -0.1 | 217.23 | C10H11ON5 | Cn1cc(Cc2cccc(C(N)=O)n2)nn1 |