Common name
[(2S)-2-fluoropropyl] formate
IUPAC name
[(2S)-2-fluoropropyl] formate
SMILES
C[C@H](F)COC=O
Common name
[(2S)-2-fluoropropyl] formate
IUPAC name
[(2S)-2-fluoropropyl] formate
SMILES
C[C@H](F)COC=O
INCHI
InChI=1S/C4H7FO2/c1-4(5)2-7-3-6/h3-4H,2H2,1H3/t4-/m0/s1
FORMULA
C4H7FO2
Common name
[(2S)-2-fluoropropyl] formate
IUPAC name
[(2S)-2-fluoropropyl] formate
Molecular weight
106.096
clogP
0.709
clogS
-0.620
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
26.3
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02809 | flucetosulfuron |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1p6d_ligand_2_69.mol2 | 1p6d | 0.684211 | -5.78 | C(OC=O)CC | 6 |
| 2qnz_ligand_2_27.mol2 | 2qnz | 0.684211 | -5.63 | C(C)COC=O | 6 |
| 4drk_ligand_2_27.mol2 | 4drk | 0.684211 | -5.22 | CCCOC=O | 6 |
| 4tw7_ligand_2_70.mol2 | 4tw7 | 0.684211 | -5.17 | C(C)COC=O | 6 |
| 4tw8_ligand_2_87.mol2 | 4tw8 | 0.684211 | -5.16 | C(COC=O)C | 6 |
| 4k42_ligand_1_5.mol2 | 4k42 | 0.684211 | -5.07 | C(OC=O)CC | 6 |
| 4k42_ligand_2_42.mol2 | 4k42 | 0.684211 | -4.85 | CCCOC=O | 6 |
| 1p6d_ligand_3_344.mol2 | 1p6d | 0.65 | -6.11 | [C@H](OC=O)(CC)C | 7 |
116 ,
12
