Common name
(3S,4S,6R)-6-methyltetrahydropyran-3,4-diol
IUPAC name
(3S,4S,6R)-6-methyltetrahydropyran-3,4-diol
SMILES
O1C(CC(C(C1)O)O)C
Common name
(3S,4S,6R)-6-methyltetrahydropyran-3,4-diol
IUPAC name
(3S,4S,6R)-6-methyltetrahydropyran-3,4-diol
SMILES
O1C(CC(C(C1)O)O)C
INCHI
InChI=1S/C6H12O3/c1-4-2-5(7)6(8)3-9-4/h4-8H,2-3H2,1H3/t4-,5+,6+/m1/s1
FORMULA
C6H12O3
Common name
(3S,4S,6R)-6-methyltetrahydropyran-3,4-diol
IUPAC name
(3S,4S,6R)-6-methyltetrahydropyran-3,4-diol
Molecular weight
132.158
clogP
0.061
clogS
0.481
Frequency
0.0003
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 |
|---|---|---|---|---|
| FDBD00171 | Acarbose |
|
Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; Alpha Glucosidase Inhibitors; Glycoside Hydrolase Inhibitors; | For treatment and management of diabetes type II (used in combination therapy as a second or third line agent). |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3jzj_ligand_frag_1.mol2 | 3jzj | 1 | -6.67 | C1[C@@H]([C@H](C[C@H](O1)C)O)O | 9 |
| 1lf9_ligand_frag_1.mol2 | 1lf9 | 1 | -6.66 | C1[C@@H]([C@H](C[C@H](O1)C)O)O | 9 |
| 3jyr_ligand_frag_1.mol2 | 3jyr | 1 | -6.58 | C1[C@@H]([C@H](C[C@H](O1)C)O)O | 9 |
| 2x2i_ligand_frag_1.mol2 | 2x2i | 1 | -6.51 | C1[C@@H]([C@H](C[C@H](O1)C)O)O | 9 |
| 4b9z_ligand_frag_1.mol2 | 4b9z | 1 | -6.50 | C1[C@@H]([C@H](C[C@H](O1)C)O)O | 9 |
| 4ccd_ligand.mol2 | 4ccd | 1 | -6.47 | C1C[C@H]([C@H]([C@@H](CO)O1)O)O | 11 |
| 2zq0_ligand_frag_1.mol2 | 2zq0 | 1 | -6.46 | C1[C@@H]([C@H](C[C@H](O1)C)O)O | 9 |
| 4uac_ligand_frag_1.mol2 | 4uac | 1 | -6.46 | C1[C@@H]([C@H](C[C@H](O1)C)O)O | 9 |
| 1gah_ligand_frag_1.mol2 | 1gah | 1 | -6.45 | C1[C@@H]([C@H](C[C@H](O1)C)O)O | 9 |
| 1gai_ligand_frag_1.mol2 | 1gai | 1 | -6.44 | C1[C@@H]([C@H](C[C@H](O1)C)O)O | 9 |
102 ,
11
