Common name
2-methylfuran
IUPAC name
2-methylfuran
SMILES
Cc1occc1
Common name
2-methylfuran
IUPAC name
2-methylfuran
SMILES
Cc1occc1
INCHI
InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3
FORMULA
C5H6O
Common name
2-methylfuran
IUPAC name
2-methylfuran
Molecular weight
82.101
clogP
1.865
clogS
-1.429
Frequency
0.0055
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 |
|---|---|---|---|---|
| FDBD02290 | pyresmethrin |
|
Insecticide | Insecticide |
| FDBD02293 | resmethrin |
|
Insecticide | Insecticide |
| FDBD02294 | bioresmethrin |
|
Insecticide | Insecticide |
| FDBD02295 | cismethrin |
|
Insecticide | Insecticide |
| FDBD02923 | pefurazoate |
|
Fungicide | Fungicide |
| FDBD03195 | pyroxyfur |
|
Fungicide | Fungicide |
16 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2uy5_ligand_1_0.mol2 | 2uy5 | 1 | -6.43 | Cc1ccco1 | 6 |
| 4bo9_ligand_1_4.mol2 | 4bo9 | 1 | -6.22 | Cc1occc1 | 6 |
| 4oc3_ligand_1_9.mol2 | 4oc3 | 1 | -6.14 | c1(ccco1)C | 6 |
| 2xn5_ligand_1_3.mol2 | 2xn5 | 1 | -6.13 | Cc1ccco1 | 6 |
| 2be2_ligand_1_5.mol2 | 2be2 | 1 | -6.10 | Cc1occc1 | 6 |
| 5cp9_ligand_1_0.mol2 | 5cp9 | 1 | -6.07 | Cc1ccco1 | 6 |
| 3mpt_ligand_1_2.mol2 | 3mpt | 1 | -5.72 | Cc1ccco1 | 6 |
100 ,
11
