Common name
N-benzylpropanamide
IUPAC name
N-benzylpropanamide
SMILES
CCC(=O)NCc1ccccc1
Common name
N-benzylpropanamide
IUPAC name
N-benzylpropanamide
SMILES
CCC(=O)NCc1ccccc1
INCHI
InChI=1S/C10H13NO/c1-2-10(12)11-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)
FORMULA
C10H13NO
Common name
N-benzylpropanamide
IUPAC name
N-benzylpropanamide
Molecular weight
163.216
clogP
2.060
clogS
-2.828
Frequency
0.0007
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00066 | Valsartan |
|
Antihypertensive Agents; Angiotensin II Type 1 Receptor Blockers; Angiotensin Receptor Antagonists; Lipid Modifying Agents; Cardiovascular System; Angiotensin II Antagonists, Plain; Agents Acting on the Renin-Angiotensin System; Angiotensin II Antagonists and Diuretics; Angiotensin II Antagonists and Calcium Channel Blockers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Angiotensin II Receptor Antagonists; | May be used as a first line agent to treat uncomplicated hypertension, isolated systolic hypertension and left ventricular hypertrophy. May be used as a first line agent to delay progression of diabetic nephropathy. Losartan may be also used as a second line agent in the treatment of congestive heart failure, systolic dysfunction, myocardial infarction and coronary artery disease in those intolerant of ACE inhibitors. |
| FDBD01392 | Lacosamide |
|
Anticonvulsants; Nervous System; Antiepileptics; | Lacosamide is indicated for adjunctive therapy for partial onset seizures in patients with epilepsy over 17 years old. Injection is indicated for short term use when oral therapy is not feasible. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4r5v_ligand_3_1.mol2 | 4r5v | 1 | -7.69 | c1(ccccc1)CNC(=O)C(C)(C)C | 14 |
| 1w13_ligand_3_36.mol2 | 1w13 | 1 | -6.72 | C(C)C(=O)NCc1ccccc1 | 12 |
| 4l70_ligand_4_6.mol2 | 4l70 | 1 | -6.67 | CCC(=O)NCc1ccccc1 | 12 |
| 4od9_ligand_4_9.mol2 | 4od9 | 1 | -6.52 | CCC(=O)NCc1ccccc1 | 12 |
| 4ayv_ligand_4_183.mol2 | 4ayv | 1 | -6.45 | C(=O)(NCc1ccccc1)CC | 12 |
| 2f70_ligand_4_20.mol2 | 2f70 | 1 | -6.29 | CCC(=O)NCc1ccccc1 | 12 |
100 ,
11
