Common name
3-methoxypropan-1-ol
IUPAC name
3-methoxypropan-1-ol
SMILES
OCCCOC
Common name
3-methoxypropan-1-ol
IUPAC name
3-methoxypropan-1-ol
SMILES
OCCCOC
INCHI
InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3
FORMULA
C4H10O2
Common name
3-methoxypropan-1-ol
IUPAC name
3-methoxypropan-1-ol
Molecular weight
90.121
clogP
0.129
clogS
-0.549
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
29.46
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00978 | Rabeprazole |
|
Enzyme Inhibitors; Anti-Ulcer Agents; Proton Pump Inhibitors; Alimentary Tract and Metabolism; Musculo-Skeletal System; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain; Butylpyrazolidines; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of acid-reflux disorders (GERD), peptic ulcer disease, H. pylori eradication, and prevention of gastroinetestinal bleeds with NSAID use. |
| FDBD01633 | Aliskiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; CYP3A4 Inhibitors; | For the treatment of hypertension, to lower blood pressure. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gj7_ligand_4_494.mol2 | 4gj7 | 1 | -5.69 | O(C)CCCO | 6 |
| 2v0z_ligand_4_0.mol2 | 2v0z | 1 | -5.67 | OCCCOC | 6 |
| 4ryc_ligand_4_439.mol2 | 4ryc | 1 | -5.66 | O(C)CCCO | 6 |
| 4rz1_ligand_4_589.mol2 | 4rz1 | 1 | -5.66 | C(OC)CCO | 6 |
| 4ryg_ligand_4_700.mol2 | 4ryg | 1 | -5.64 | C(O)CCOC | 6 |
| 2bkt_ligand_5_595.mol2 | 2bkt | 1 | -5.54 | OCCCOC | 6 |
| 2v12_ligand_4_0.mol2 | 2v12 | 1 | -5.50 | C(OC)CCO | 6 |
| 2v13_ligand_4_0.mol2 | 2v13 | 1 | -5.50 | COCCCO | 6 |
| 2v10_ligand_4_0.mol2 | 2v10 | 1 | -5.47 | OCCCOC | 6 |
| 3ixk_ligand_4_3161.mol2 | 3ixk | 1 | -5.44 | C(CCO)OC | 6 |
129 ,
13
