Common name
N-(3-hydroxypropyl)acetamide
IUPAC name
N-(3-hydroxypropyl)acetamide
SMILES
CC(=O)NCCCO
Common name
N-(3-hydroxypropyl)acetamide
IUPAC name
N-(3-hydroxypropyl)acetamide
SMILES
CC(=O)NCCCO
INCHI
InChI=1S/C5H11NO2/c1-5(8)6-3-2-4-7/h7H,2-4H2,1H3,(H,6,8)
FORMULA
C5H11NO2
Common name
N-(3-hydroxypropyl)acetamide
IUPAC name
N-(3-hydroxypropyl)acetamide
Molecular weight
117.146
clogP
-0.132
clogS
-0.854
Frequency
0.0007
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 |
|---|---|---|---|---|
| FDBD00376 | Ritonavir |
|
Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; 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; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inducers of CYP3A4 and P-glycoprotein; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Indicated in combination with other antiretroviral agents for the treatment of HIV-infection. |
| FDBD01251 | Lopinavir |
|
Anti-HIV Agents; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Indicated in combination with other antiretroviral agents for the treatment of HIV-infection. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q55_ligand_4_932.mol2 | 2q55 | 1 | -5.58 | CC(=O)NCCCO | 8 |
| 2o4s_ligand_4_715.mol2 | 2o4s | 1 | -5.57 | C(CO)CNC(=O)C | 8 |
| 2q54_ligand_4_661.mol2 | 2q54 | 1 | -5.57 | C(O)CCNC(=O)C | 8 |
| 4j3d_ligand_4_320.mol2 | 4j3d | 1 | -5.57 | C(CO)CNC(=O)C | 8 |
| 4u7q_ligand_4_1546.mol2 | 4u7q | 1 | -5.57 | C(=O)(NCCCO)C | 8 |
| 1hxw_ligand_4_1887.mol2 | 1hxw | 1 | -5.56 | C(O)CCNC(=O)C | 8 |
| 2q5k_ligand_4_715.mol2 | 2q5k | 1 | -5.56 | C(O)CCNC(=O)C | 8 |
| 2rkf_ligand_4_715.mol2 | 2rkf | 1 | -5.53 | C(NC(=O)C)CCO | 8 |
100 ,
11
