Common name
1-fluoro-2-methoxy-ethane
IUPAC name
1-fluoro-2-methoxy-ethane
SMILES
C(CF)OC
Common name
1-fluoro-2-methoxy-ethane
IUPAC name
1-fluoro-2-methoxy-ethane
SMILES
C(CF)OC
INCHI
InChI=1S/C3H7FO/c1-5-3-2-4/h2-3H2,1H3
FORMULA
C3H7FO
Common name
1-fluoro-2-methoxy-ethane
IUPAC name
1-fluoro-2-methoxy-ethane
Molecular weight
78.085
clogP
0.675
clogS
-0.972
Frequency
0.0007
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01715 | Florbetaben (18F) |
|
Diagnostic Radiopharmaceuticals; Central Nervous System; | |
| FDBD01716 | Florbetapir (18F) |
|
Diagnostic Radiopharmaceuticals; Central Nervous System; |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v96_ligand_3_16.mol2 | 2v96 | 0.909091 | -5.22 | C(F)(F)(F)COC | 7 |
| 2v96_ligand_4_10.mol2 | 2v96 | 0.769231 | -5.40 | C(F)(F)(F)COCC | 8 |
| 2v96_ligand_5_0.mol2 | 2v96 | 0.769231 | -5.40 | C(F)(F)(COCC)F | 8 |
| 4bc5_ligand_1_3.mol2 | 4bc5 | 0.7 | -5.36 | C(O)CF | 4 |
| 4dpt_ligand_frag_7.mol2 | 4dpt | 0.7 | -5.25 | C(O)CF | 4 |
| 4dpu_ligand_frag_7.mol2 | 4dpu | 0.7 | -5.13 | C(O)CF | 4 |
| 4q1e_ligand_2_0.mol2 | 4q1e | 0.7 | -5.02 | OCCF | 4 |
| 4jlm_ligand_2_0.mol2 | 4jlm | 0.7 | -5.01 | OCCF | 4 |
| 4jln_ligand_2_0.mol2 | 4jln | 0.7 | -4.99 | FCCO | 4 |
263 ,
27
