aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04991 | 1.05 | 197.67 | C5H4O2NClS2 | NS(=O)(=O)c1ccc(Cl)s1 |
|
AD04992 | 2.51 | 282.35 | C14H12N5S | C1=Nc2c(ncnc2NC2CSc3ccccc3C2)[N]1 |
|
AD04993 | 0.4 | 139.15 | C7H9O2N | Cc1c(O)c(=O)ccn1C |
|
AD04994 | 3.42 | 290.78 | C15H17N5Cl | Clc1nc2c(c(NC(C3CCC3)C3CCC3)n1)N=C[N]2 |
|
AD04995 | 4.79 | 442.36 | C19H12ON3S2Br | O=C1NC(=S)SC1=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 |
|
AD04996 | 4.85 | 378.36 | C20H8O2N2F2S | O=C1NC(=O)c2c1c1c3cc(F)ccc3[nH]c1c1sc3ccc(F)cc3c21 |
|
AD04997 | 4.1 | 304.77 | C18H17O3Cl | CCOc1ccc(Cc2ccc3c(c2Cl)OCCO3)cc1 |
|
AD04998 | 5.02 | 418.62 | C26H42O4 | CCCCOC(=O)C=CC1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12C |
|
AD04999 | 2.08 | 162.15 | C8H6O2N2 | O=[N+]([O-])c1ccc2cc[nH]c2c1 |
|
AD05000 | 5.39 | 486.69 | C30H46O5 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1 |