Common name
furan
IUPAC name
furan
SMILES
o1cccc1
Common name
furan
IUPAC name
furan
SMILES
o1cccc1
INCHI
InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H
FORMULA
C4H4O
Common name
furan
IUPAC name
furan
Molecular weight
68.074
clogP
1.607
clogS
-0.855
Frequency
0.0079
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
13.14
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03013 | fuberidazole |
|
Fungicide | Fungicide |
| FDBD03017 | furophanate |
|
Fungicide | Fungicide |
| FDBD03195 | pyroxyfur |
|
Fungicide | Fungicide |
23 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2uy5_ligand_frag_0.mol2 | 2uy5 | 1 | -5.97 | c1ccoc1 | 5 |
| 4bo9_ligand_frag_5.mol2 | 4bo9 | 1 | -5.82 | c1occc1 | 5 |
| 4bid_ligand_frag_4.mol2 | 4bid | 1 | -5.80 | o1cccc1 | 5 |
| 2xn5_ligand_frag_4.mol2 | 2xn5 | 1 | -5.78 | c1ccco1 | 5 |
| 4oc3_ligand_frag_10.mol2 | 4oc3 | 1 | -5.76 | c1ccco1 | 5 |
| 2psv_ligand_frag_12.mol2 | 2psv | 1 | -5.72 | c1occc1 | 5 |
110 ,
12
