Common name
N-(2-hydroxyethyl)propanamide
IUPAC name
N-(2-hydroxyethyl)propanamide
SMILES
CCC(=O)NCCO
Common name
N-(2-hydroxyethyl)propanamide
IUPAC name
N-(2-hydroxyethyl)propanamide
SMILES
CCC(=O)NCCO
INCHI
InChI=1S/C5H11NO2/c1-2-5(8)6-3-4-7/h7H,2-4H2,1H3,(H,6,8)
FORMULA
C5H11NO2
Common name
N-(2-hydroxyethyl)propanamide
IUPAC name
N-(2-hydroxyethyl)propanamide
Molecular weight
117.146
clogP
-0.132
clogS
-0.854
Frequency
0.0010
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
49.33
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00100 | Remikiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; | For the treatment of hypertension and heart failure. |
| FDBD01076 | Saquinavir |
|
Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of HIV-1 with advanced immunodeficiency together with antiretroviral nucleoside analogues. |
| FDBD01640 | Eliglustat |
|
Enzyme Inhibitors; Alimentary Tract and Metabolism; Various Alimentary Tract and Metabolism Products; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Eliglustat is indicated for the long-term treatment of type 1 Gaucher disease in patients who are CYP2D6 extensive metabolizers (EMs), intermediate metabolizers (IMs), or poor metabolizers (PMs) in treatment-naive and treatment-experienced adult patients. |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1a7c_ligand_3_330.mol2 | 1a7c | 1 | -6.29 | C(=O)(NCCO)CC | 8 |
| 1bil_ligand_5_3090.mol2 | 1bil | 1 | -6.07 | C(C)(C(=O)NCCO)C | 9 |
| 1hrn_ligand_5_2219.mol2 | 1hrn | 1 | -6.04 | C(NC(=O)C(C)C)CO | 9 |
| 3d91_ligand_4_1700.mol2 | 3d91 | 1 | -5.96 | C(O)CNC(=O)CC | 8 |
| 1ym4_ligand_4_61.mol2 | 1ym4 | 1 | -5.95 | C(C(=O)NCCO)C | 8 |
| 3duy_ligand_4_1364.mol2 | 3duy | 1 | -5.94 | C(NC(=O)CC)CO | 8 |
| 4trw_ligand_4_3555.mol2 | 4trw | 1 | -5.90 | C(O)CNC(=O)CC | 8 |
| 1bim_ligand_5_673.mol2 | 1bim | 1 | -5.89 | CC(C)C(=O)NCCO | 9 |
| 2g94_ligand_4_1707.mol2 | 2g94 | 1 | -5.89 | C(O)CNC(=O)CC | 8 |
132 ,
14
