Common name
N-methoxy-2,5-dimethylfuran-3-carboxamide
IUPAC name
N-methoxy-2,5-dimethylfuran-3-carboxamide
SMILES
O(C)NC(=O)c1c(oc(C)c1)C
Common name
N-methoxy-2,5-dimethylfuran-3-carboxamide
IUPAC name
N-methoxy-2,5-dimethylfuran-3-carboxamide
SMILES
O(C)NC(=O)c1c(oc(C)c1)C
INCHI
InChI=1S/C8H11NO3/c1-5-4-7(6(2)12-5)8(10)9-11-3/h4H,1-3H3,(H,9,10)
FORMULA
C8H11NO3
Common name
N-methoxy-2,5-dimethylfuran-3-carboxamide
IUPAC name
N-methoxy-2,5-dimethylfuran-3-carboxamide
Molecular weight
169.178
clogP
1.252
clogS
-2.356
Frequency
0.0003
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
51.47
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02960 | furmecyclox |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hva_ligand_frag_3.mol2 | 4hva | 0.527027 | -5.11 | c1cc(co1)C(=O)N | 8 |
| 4hva_ligand_1_1.mol2 | 4hva | 0.50495 | -6.17 | c1(cc(co1)C(=O)N)c1ccccc1 | 14 |
| 4hva_ligand_1_3.mol2 | 4hva | 0.493827 | -5.16 | c1cc(co1)C(=O)NC | 9 |
| 4hva_ligand_2_7.mol2 | 4hva | 0.477064 | -6.22 | c1(cc(co1)C(=O)NC)c1ccccc1 | 15 |
| 4hva_ligand_2_15.mol2 | 4hva | 0.465116 | -5.33 | c1cc(co1)C(=O)NCC | 10 |
| 4hva_ligand_3_19.mol2 | 4hva | 0.45614 | -6.39 | c1(cc(co1)C(=O)NCC)c1ccccc1 | 16 |
| 4hva_ligand_3_1.mol2 | 4hva | 0.434426 | -6.17 | c1(cc(co1)C(=O)NC)c1ccc(cc1)OC | 17 |
120 ,
13
