Common name
(3R,4R)-tetrahydropyran-3,4-diol
IUPAC name
(3R,4R)-tetrahydropyran-3,4-diol
SMILES
O1CCC(C(C1)O)O
Common name
(3R,4R)-tetrahydropyran-3,4-diol
IUPAC name
(3R,4R)-tetrahydropyran-3,4-diol
SMILES
O1CCC(C(C1)O)O
INCHI
InChI=1S/C5H10O3/c6-4-1-2-8-3-5(4)7/h4-7H,1-3H2/t4-,5-/m1/s1
FORMULA
C5H10O3
Common name
(3R,4R)-tetrahydropyran-3,4-diol
IUPAC name
(3R,4R)-tetrahydropyran-3,4-diol
Molecular weight
118.131
clogP
0.101
clogS
0.654
Frequency
0.0017
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 |
|---|---|---|---|---|
| FDBD00177 | Bleomycin |
|
Antineoplastic Agents; Immunosuppressive Agents; Antibiotics, Antineoplastic; Antineoplastic and Immunomodulating Agents; Cytotoxic Antibiotics and Related Substances; | For palliative treatment in the management malignant neoplasm (trachea, bronchus, lung), squamous cell carcinoma, and lymphomas. |
| FDBD00289 | Mupirocin |
|
Anti-Bacterial Agents; Protein Synthesis Inhibitors; Antibiotics; Respiratory System; Dermatologicals; Nasal Preparations; Antibiotics for Topical Use; | For the treatment of . |
| FDBD00382 | Vancomycin |
|
Anti-Bacterial Agents; Antibiotics; Alimentary Tract and Metabolism; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antidiarrheals, Intestinal Anti-Inflammatory/antiinfective Agents; Intestinal Antiinfectives; Glycopeptide Antibacterials; | For the treatment of serious or severe infections caused by susceptible strains of methicillin-resistant (beta-lactam-resistant) staphylococci. |
| FDBD00551 | Pentosan Polysulfate |
|
Anticoagulants; Genito Urinary System and Sex Hormones; Musculo-Skeletal System; Cardiovascular System; Vasoprotectives; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Antivaricose Therapy; Heparins or Heparinoids for Topical Use; Urological Agents; | For the relief of bladder pain or discomfort associated with interstitial cystitis. |
| FDBD01410 | Telavancin |
|
Anti-Bacterial Agents; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Glycopeptide Antibacterials; | Treatment of complicated skin infections caused by gram-positive bacteria like methicillin-susceptible or -resistant Staphylococcus aureus, vancomycin-susceptible Enterococcus faecalis, and Streptococcus pyogenes, Streptococcus agalactiae, or Streptococcus anginosus group. |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3k00_ligand_frag_6.mol2 | 3k00 | 1 | -6.44 | C1[C@@H]([C@H](COC1)O)O | 8 |
| 3k02_ligand_frag_2.mol2 | 3k02 | 1 | -6.39 | C1[C@@H]([C@H](CCO1)O)O | 8 |
| 3jzj_ligand_frag_3.mol2 | 3jzj | 1 | -6.38 | C1[C@@H]([C@H](CCO1)O)O | 8 |
| 3k02_ligand_frag_1.mol2 | 3k02 | 1 | -6.32 | C1[C@@H]([C@H](CCO1)O)O | 8 |
| 3k00_ligand_frag_3.mol2 | 3k00 | 1 | -6.30 | C1[C@@H]([C@H](COC1)O)O | 8 |
| 1gz9_ligand_frag_2.mol2 | 1gz9 | 1 | -6.28 | C1OC[C@@H]([C@@H](C1)O)O | 8 |
| 4c1t_ligand_frag_2.mol2 | 4c1t | 1 | -6.25 | C1C[C@H]([C@@H](CO1)O)O | 8 |
| 3jyr_ligand_frag_3.mol2 | 3jyr | 1 | -6.22 | C1[C@@H]([C@H](CCO1)O)O | 8 |
| 3mbp_ligand_frag_2.mol2 | 3mbp | 1 | -6.22 | C1[C@@H]([C@H](CCO1)O)O | 8 |
202 ,
21
