Common name
ethyl propanoate
IUPAC name
ethyl propanoate
SMILES
C(C)C(=O)OCC
Common name
ethyl propanoate
IUPAC name
ethyl propanoate
SMILES
C(C)C(=O)OCC
INCHI
InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3
FORMULA
C5H10O2
Common name
ethyl propanoate
IUPAC name
ethyl propanoate
Molecular weight
102.132
clogP
0.671
clogS
-1.078
Frequency
0.0086
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
26.3
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00652 | Perindopril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Lipid Modifying Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; ACE Inhibitors and Calcium Channel Blockers; | For the treatment of mild to moderate essential hypertension, mild to moderate congestive heart failure, and to reduce the cardiovascular risk of individuals with hypertension or post-myocardial infarction and stable coronary disease. |
| FDBD00741 | Quinapril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; | For the treatment of hypertension and as adjunct therapy in the treatment of congestive heart failure. May also be used to slow the rate of progression of renal disease in hypertensive individuals with diabetes mellitus and microalbuminuria or overt nephropathy. |
| FDBD01033 | Iophendylate |
|
Contrast Media; | Iophendylate is used as a contrast agent to locate spinal tumors. |
| FDBD01144 | Cilazapril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; | Cilazapril is an ACE inhibtor class drug used in the treatment of hypertension and heart failure. |
| FDBD01148 | Spirapril |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; | Spirapril is an ACE inhibitor class drug used to treat hypertension. |
| FDBD01398 | Hexaminolevulinate |
|
; | Hexaminolevulinate is indicated for use in the cystoscopic detection of non-muscle invasive papillary cancer of the bladder among patients suspected or known to have lesion(s) on the basis of a prior cystoscopy. |
| FDBD01435 | Dabigatran etexilate |
|
Antithrombins; Direct Thrombin Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; | Dabigatran is indicated for the prevention of venous thromboembolic events in patients who have undergone elective hip or knee replacement surgery (based on RE-NOVATE, RE-MODEL, and RE-MOBILIZE trials). In 2010, it was approved in the US and Canada for prevention of stroke and systemic embolism in patients with atrial fibrillation (approval based on the RE-LY trial). Contraindications: severe renal impairment (CrCL . |
| FDBD01488 | Levopropoxyphene |
|
; | |
| FDBD01556 | Icosapent ethyl |
|
Platelet Aggregation Inhibitors; Hypolipidemic Agents; Omega-3 Fatty Acids; | Icosapent ethyl is used as adjunct therapy to reduce triglyceride (TG) levels in adults with severe (>500 mg/dL) hypertriglyceridemia. |
| FDBD01789 | Sacubitril |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; | Used in combination with valsartan to reduce the risk of cardiovascular events in patients with chronic heart failure (NYHA Class II-IV). |
25 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1p6d_ligand_4_1325.mol2 | 1p6d | 1 | -6.51 | C(OC(=O)CC)(C)C | 8 |
| 1p6e_ligand_4_671.mol2 | 1p6e | 1 | -6.42 | CC(C)OC(=O)CC | 8 |
| 1p6d_ligand_3_395.mol2 | 1p6d | 1 | -6.18 | C(OC(=O)CC)C | 7 |
| 1p6e_ligand_3_244.mol2 | 1p6e | 1 | -6.12 | CCOC(=O)CC | 7 |
| 1p6d_ligand_3_350.mol2 | 1p6d | 1 | -6.09 | C(OC(=O)CC)C | 7 |
| 4tnw_ligand_3_158.mol2 | 4tnw | 1 | -5.99 | CCC(=O)OCC | 7 |
| 1p6e_ligand_3_208.mol2 | 1p6e | 1 | -5.97 | CCOC(=O)CC | 7 |
| 5d1r_ligand_2_16.mol2 | 5d1r | 1 | -5.93 | C(=O)(OC(C)C)CC | 8 |
| 1uvu_ligand_2_2.mol2 | 1uvu | 1 | -5.63 | CCC(=O)OCC | 7 |
| 2alv_ligand_1_11.mol2 | 2alv | 1 | -5.54 | C(C)OC(=O)CC | 7 |
107 ,
11
