Common name
(3S,4R)-tetrahydrofuran-3,4-diol
IUPAC name
(3S,4R)-tetrahydrofuran-3,4-diol
SMILES
O1CC(C(C1)O)O
Common name
(3S,4R)-tetrahydrofuran-3,4-diol
IUPAC name
(3S,4R)-tetrahydrofuran-3,4-diol
SMILES
O1CC(C(C1)O)O
INCHI
InChI=1S/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4+
FORMULA
C4H8O3
Common name
(3S,4R)-tetrahydrofuran-3,4-diol
IUPAC name
(3S,4R)-tetrahydrofuran-3,4-diol
Molecular weight
104.105
clogP
-0.109
clogS
0.954
Frequency
0.0048
HBond Acceptor
3
HBond Donor
2
Total PolarSurface Area
49.69
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01390 | Regadenoson |
|
Diagnostic Agents; Cardiovascular System; Cardiac Therapy; Adenosine A2 Receptor Agonists; | Diagnostic agent for radionuclide myocardial perfusion imaging (MPI) . |
| FDBD02348 | thuringiensin |
|
Insecticide | Insecticide |
| FDBD02973 | polyoxorim |
|
Fungicide | Fungicide |
| FDBD03237 | polyoxorim-zinc |
|
Fungicide | Fungicide |
14 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1hp0_ligand_frag_1.mol2 | 1hp0 | 1 | -6.49 | C1[C@H]([C@H](CO1)O)O | 7 |
| 1ctu_ligand_frag_1.mol2 | 1ctu | 1 | -6.27 | C1OC[C@H]([C@H]1O)O | 7 |
| 1af2_ligand_frag_1.mol2 | 1af2 | 1 | -6.23 | C1OC[C@@H]([C@@H]1O)O | 7 |
| 2wr8_ligand_frag_5.mol2 | 2wr8 | 1 | -6.21 | C1OC[C@@H]([C@@H]1O)O | 7 |
| 4kxl_ligand_frag_3.mol2 | 4kxl | 1 | -6.21 | C1OC[C@H]([C@H]1O)O | 7 |
| 4kxm_ligand_frag_3.mol2 | 4kxm | 1 | -6.20 | C1OC[C@@H]([C@@H]1O)O | 7 |
| 1ctt_ligand_frag_1.mol2 | 1ctt | 1 | -6.19 | C1[C@@H]([C@@H](CO1)O)O | 7 |
| 2b1i_ligand_frag_1.mol2 | 2b1i | 1 | -6.19 | C1OC[C@H]([C@H]1O)O | 7 |
| 2xaf_ligand_frag_3.mol2 | 2xaf | 1 | -6.17 | C1OC[C@@H]([C@@H]1O)O | 7 |
| 1m9n_ligand_frag_1.mol2 | 1m9n | 1 | -6.16 | C1OC[C@@H]([C@@H]1O)O | 7 |
744 ,
75
