Common name
(3R,5S)-tetrahydropyran-3,5-diol
IUPAC name
(3R,5S)-tetrahydropyran-3,5-diol
SMILES
O1CC(CC(C1)O)O
Common name
(3R,5S)-tetrahydropyran-3,5-diol
IUPAC name
(3R,5S)-tetrahydropyran-3,5-diol
SMILES
O1CC(CC(C1)O)O
INCHI
InChI=1S/C5H10O3/c6-4-1-5(7)3-8-2-4/h4-7H,1-3H2/t4-,5+
FORMULA
C5H10O3
Common name
(3R,5S)-tetrahydropyran-3,5-diol
IUPAC name
(3R,5S)-tetrahydropyran-3,5-diol
Molecular weight
118.131
clogP
0.101
clogS
0.654
Frequency
0.0007
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. |
| 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. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4c1u_ligand_frag_2.mol2 | 4c1u | 1 | -6.03 | C1[C@@H](C[C@@H](CO1)O)O | 8 |
| 1uh1_ligand_frag_3.mol2 | 1uh1 | 1 | -5.95 | C1[C@@H](C[C@H](CO1)O)O | 8 |
| 1gui_ligand_frag_5.mol2 | 1gui | 1 | -5.88 | [C@H]1(C[C@@H](COC1)O)O | 8 |
| 1gui_ligand_frag_8.mol2 | 1gui | 1 | -5.81 | [C@H]1(C[C@@H](COC1)O)O | 8 |
| 3ap7_ligand_frag_0.mol2 | 3ap7 | 1 | -5.71 | C1[C@@H](C[C@H](CO1)O)O | 8 |
| 2xg3_ligand_frag_2.mol2 | 2xg3 | 1 | -5.68 | C1[C@@H](C[C@H](CO1)O)O | 8 |
| 1ule_ligand_frag_2.mol2 | 1ule | 1 | -5.67 | C1[C@@H](C[C@H](CO1)O)O | 8 |
| 4lbl_ligand_frag_8.mol2 | 4lbl | 1 | -5.63 | C1[C@@H](C[C@H](CO1)O)O | 8 |
| 4lbo_ligand_frag_3.mol2 | 4lbo | 1 | -5.62 | C1[C@@H](C[C@H](CO1)O)O | 8 |
295 ,
30
