Common name
(2R,3S)-2-fluoro-3,4-dihydroxy-butanal
IUPAC name
(2R,3S)-2-fluoro-3,4-dihydroxy-butanal
SMILES
C(O)C(C(F)C=O)O
Common name
(2R,3S)-2-fluoro-3,4-dihydroxy-butanal
IUPAC name
(2R,3S)-2-fluoro-3,4-dihydroxy-butanal
SMILES
C(O)C(C(F)C=O)O
INCHI
InChI=1S/C4H7FO3/c5-3(1-6)4(8)2-7/h1,3-4,7-8H,2H2/t3-,4-/m0/s1
FORMULA
C4H7FO3
Common name
(2R,3S)-2-fluoro-3,4-dihydroxy-butanal
IUPAC name
(2R,3S)-2-fluoro-3,4-dihydroxy-butanal
Molecular weight
122.095
clogP
-0.067
clogS
0.587
Frequency
0.0003
HBond Acceptor
3
HBond Donor
2
Total PolarSurface Area
57.53
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01717 | Fludeoxyglucose (18F) |
|
Tumour Detection; Diagnostic Radiopharmaceuticals; Radiopharmaceuticals; |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1css_ligand_2_170.mol2 | 1css | 0.772727 | -5.90 | CC[C@H](F)C(=O)O | 7 |
| 4bc5_ligand_3_3.mol2 | 4bc5 | 0.75 | -5.81 | [C@H](O)([C@H](O)CF)C=O | 8 |
| 1f7b_ligand_3_40.mol2 | 1f7b | 0.666667 | -5.53 | C(O)[C@H](O)CC=O | 7 |
| 4dpt_ligand_2_11.mol2 | 4dpt | 0.653846 | -6.29 | C(C(=O)O)[C@@](O)(CF)C | 9 |
| 4dpu_ligand_2_11.mol2 | 4dpu | 0.653846 | -6.20 | C(C(=O)O)[C@@](O)(CF)C | 9 |
| 4dpt_ligand_1_3.mol2 | 4dpt | 0.653846 | -5.88 | C(C(=O)O)[C@@H](O)CF | 8 |
| 4dpu_ligand_1_3.mol2 | 4dpu | 0.653846 | -5.81 | C(C(=O)O)[C@@H](O)CF | 8 |
142 ,
15
