aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD38111 | 0.25 | 271.32 | C12H21O4N3 | CC(C)(C)OC(=O)N(CCC#N)CC(=O)NCCO |
|
AD38112 | 1.9 | 279.28 | C14H11ON6 | N#CCOc1ccc(CNc2ncnc3c2N=C[N]3)cc1 |
|
AD38113 | 1.88 | 279.28 | C14H11ON6 | COc1ccc(CNc2ncnc3c2N=C[N]3)cc1C#N |
|
AD38114 | 1.24 | 280.31 | C14H14N7 | C#CCn1ccc(CN(CC)c2ncnc3c2N=C[N]3)n1 |
|
AD38115 | 2.46 | 240.24 | C14H9ON2F | N#Cc1ccc(-c2ccc(C(N)=O)cc2)cc1F |
|
AD38116 | 0.88 | 279.26 | C14H9O2N5 | C#Cc1ccc(C(=O)Nc2ncnc3[nH]c(=O)[nH]c23)cc1 |
|
AD38117 | 0.52 | 277.27 | C14H9ON6 | C#Cc1ccc(C(=O)n2c(N)c3c(nc2=N)[N]C=N3)cc1 |
|
AD38118 | 1.76 | 280.24 | C14H7ON5F | C#Cc1ccc(C(=O)Nc2nc(F)nc3c2N=C[N]3)cc1 |
|
AD38119 | 2.24 | 253.32 | C12H15O3NS | C=CCC1(S(=O)(=O)Nc2ccc(O)cc2)CC1 |
|
AD38120 | 0.48 | 260.7 | C10H9O3N2ClS | N#Cc1ccc(Cl)c(S(=O)(=O)NCCO)c1 |