Common name
3,3-difluoroprop-1-ene
IUPAC name
3,3-difluoroprop-1-ene
SMILES
C=CC(F)F
Common name
3,3-difluoroprop-1-ene
IUPAC name
3,3-difluoroprop-1-ene
SMILES
C=CC(F)F
INCHI
InChI=1S/C3H4F2/c1-2-3(4)5/h2-3H,1H2
FORMULA
C3H4F2
Common name
3,3-difluoroprop-1-ene
IUPAC name
3,3-difluoroprop-1-ene
Molecular weight
78.061
clogP
1.248
clogS
-0.809
Frequency
0.0003
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01531 | Tafluprost |
|
Prostaglandins, Synthetic; Ophthalmics; Ophthalmologicals; Sensory Organs; Antiglaucoma Preparations and Miotics; Prostaglandin Analogues; | Tafluprost is indicated for reducing elevated intraocular pressure in patients with open-angle glaucoma or ocular hypertension. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3cke_ligand_1_11.mol2 | 3cke | 0.875 | -5.48 | C=CCF | 4 |
| 3cke_ligand_1_12.mol2 | 3cke | 0.875 | -5.41 | C=CCF | 4 |
| 3cke_ligand_2_75.mol2 | 3cke | 0.7 | -5.78 | C/C=C/CF | 5 |
| 3cke_ligand_2_76.mol2 | 3cke | 0.7 | -5.71 | C/C=C\CF | 5 |
| 4xsy_ligand_1_2.mol2 | 4xsy | 0.666667 | -6.16 | C=C(CC)C(F)(F)F | 8 |
| 4xsy_ligand_2_1.mol2 | 4xsy | 0.666667 | -6.16 | C=C(C(F)(F)F)CC | 8 |
| 4xsy_ligand_3_0.mol2 | 4xsy | 0.666667 | -6.16 | C=C(C(F)(F)F)CC | 8 |
| 3cke_ligand_2_77.mol2 | 3cke | 0.636364 | -5.43 | C=C(CF)CF | 6 |
| 4m3b_ligand_1_0.mol2 | 4m3b | 0.625 | -5.90 | FC(F)(F)C | 5 |
106 ,
11
