Common name
3-methylbutanamide
IUPAC name
3-methylbutanamide
SMILES
O=C(N)CC(C)C
Common name
3-methylbutanamide
IUPAC name
3-methylbutanamide
SMILES
O=C(N)CC(C)C
INCHI
InChI=1S/C5H11NO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H2,6,7)
FORMULA
C5H11NO
Common name
3-methylbutanamide
IUPAC name
3-methylbutanamide
Molecular weight
101.147
clogP
0.113
clogS
-0.620
Frequency
0.0014
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
43.09
Number of Rings
0
Rotatable Bond
2
| 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. |
| FDBD01633 | Aliskiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; CYP3A4 Inhibitors; | For the treatment of hypertension, to lower blood pressure. |
| FDBD02965 | benthiavalicarb |
|
Fungicide | Fungicide |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2cej_ligand_2_52.mol2 | 2cej | 1 | -6.53 | C(C(C)(C)C)C(=O)N | 8 |
| 2cen_ligand_2_60.mol2 | 2cen | 1 | -6.52 | C(C(C)(C)C)C(=O)N | 8 |
| 2cem_ligand_2_60.mol2 | 2cem | 1 | -6.51 | NC(=O)CC(C)(C)C | 8 |
| 2wkz_ligand_2_76.mol2 | 2wkz | 1 | -6.50 | NC(=O)CC(C)(C)C | 8 |
| 2uy0_ligand_2_45.mol2 | 2uy0 | 1 | -6.49 | NC(=O)CC(C)(C)C | 8 |
| 2wl0_ligand_2_76.mol2 | 2wl0 | 1 | -6.47 | C(C(=O)N)C(C)(C)C | 8 |
| 1jld_ligand_3_624.mol2 | 1jld | 1 | -6.46 | [C@@H](C(=O)N)(C)C(C)(C)C | 9 |
| 2uxz_ligand_2_75.mol2 | 2uxz | 1 | -6.46 | C(C)(C)(C)CC(=O)N | 8 |
| 2xye_ligand_2_110.mol2 | 2xye | 1 | -6.44 | NC(=O)CC(C)(C)C | 8 |
600 ,
61
