Common name
2,5-dimethylfuran-3-carboxamide
IUPAC name
2,5-dimethylfuran-3-carboxamide
SMILES
Cc1oc(c(c1)C(=O)N)C
Common name
2,5-dimethylfuran-3-carboxamide
IUPAC name
2,5-dimethylfuran-3-carboxamide
SMILES
Cc1oc(c(c1)C(=O)N)C
INCHI
InChI=1S/C7H9NO2/c1-4-3-6(7(8)9)5(2)10-4/h3H,1-2H3,(H2,8,9)
FORMULA
C7H9NO2
Common name
2,5-dimethylfuran-3-carboxamide
IUPAC name
2,5-dimethylfuran-3-carboxamide
Molecular weight
139.152
clogP
1.290
clogS
-1.796
Frequency
0.0010
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
56.23
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02949 | furcarbanil |
|
Fungicide | Fungicide |
| FDBD02959 | cyclafuramid |
|
Fungicide | Fungicide |
| FDBD02960 | furmecyclox |
|
Fungicide | Fungicide |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hva_ligand_frag_3.mol2 | 4hva | 0.696429 | -5.11 | c1cc(co1)C(=O)N | 8 |
| 4hva_ligand_1_1.mol2 | 4hva | 0.614458 | -6.17 | c1(cc(co1)C(=O)N)c1ccccc1 | 14 |
| 4hva_ligand_1_3.mol2 | 4hva | 0.609375 | -5.16 | c1cc(co1)C(=O)NC | 9 |
| 4hva_ligand_2_15.mol2 | 4hva | 0.565217 | -5.33 | c1cc(co1)C(=O)NCC | 10 |
| 4hva_ligand_2_7.mol2 | 4hva | 0.554348 | -6.22 | c1(cc(co1)C(=O)NC)c1ccccc1 | 15 |
| 4hva_ligand_3_19.mol2 | 4hva | 0.525773 | -6.39 | c1(cc(co1)C(=O)NCC)c1ccccc1 | 16 |
| 3fql_ligand_frag_2.mol2 | 3fql | 0.481928 | -7.47 | c1ccc2c(c1)c(co2)C(=O)NC | 13 |
101 ,
11
