Common name
(2S,3S)-3-hydroxy-2-methyl-tetrahydrofuran-3-carbaldehyde
IUPAC name
(2S,3S)-3-hydroxy-2-methyl-tetrahydrofuran-3-carbaldehyde
SMILES
O1CCC(C1C)(O)C=O
Common name
(2S,3S)-3-hydroxy-2-methyl-tetrahydrofuran-3-carbaldehyde
IUPAC name
(2S,3S)-3-hydroxy-2-methyl-tetrahydrofuran-3-carbaldehyde
SMILES
O1CCC(C1C)(O)C=O
INCHI
InChI=1S/C6H10O3/c1-5-6(8,4-7)2-3-9-5/h4-5,8H,2-3H2,1H3/t5-,6+/m0/s1
FORMULA
C6H10O3
Common name
(2S,3S)-3-hydroxy-2-methyl-tetrahydrofuran-3-carbaldehyde
IUPAC name
(2S,3S)-3-hydroxy-2-methyl-tetrahydrofuran-3-carbaldehyde
Molecular weight
130.142
clogP
0.785
clogS
-0.211
Frequency
0.0007
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
46.53
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00932 | Streptomycin |
|
Anti-Bacterial Agents; Protein Synthesis Inhibitors; Aminoglycosides; Antibiotics; Antimycobacterials; Alimentary Tract and Metabolism; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Drugs for Treatment of Tuberculosis; Antidiarrheals, Intestinal Anti-Inflammatory/antiinfective Agents; Aminoglycoside Antibacterials; Intestinal Antiinfectives; Streptomycins; | For the treatment of tuberculosis. May also be used in combination with other drugs to treat tularemia (Francisella tularensis), plague (Yersia pestis), severe M. avium complex, brucellosis, and enterococcal endocarditis (e.g. E. faecalis, E. faecium). |
| FDBD02974 | streptomycin |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2py4_ligand_1_1.mol2 | 2py4 | 0.636364 | -6.58 | C1C[C@@H]([C@H](O1)C)O | 7 |
| 3ehw_ligand_1_1.mol2 | 3ehw | 0.636364 | -6.56 | C[C@@H]1[C@H](CCO1)O | 7 |
| 2yay_ligand_1_1.mol2 | 2yay | 0.636364 | -6.47 | C1C[C@@H]([C@H](O1)C)O | 7 |
| 4uxh_ligand_1_1.mol2 | 4uxh | 0.636364 | -6.45 | C[C@H]1OCC[C@@H]1O | 7 |
| 2yaz_ligand_1_1.mol2 | 2yaz | 0.636364 | -6.40 | C[C@@H]1[C@H](CCO1)O | 7 |
| 2qch_ligand_1_1.mol2 | 2qch | 0.636364 | -6.28 | C[C@@H]1[C@H](CCO1)O | 7 |
| 4tmk_ligand_1_1.mol2 | 4tmk | 0.636364 | -6.26 | C[C@H]1OCC[C@@H]1O | 7 |
| 1wur_ligand_1_7.mol2 | 1wur | 0.636364 | -6.25 | [C@@H]1(OCC[C@@H]1O)C | 7 |
719 ,
72
