Common name
N-ethyl-3-methyl-butanamide
IUPAC name
N-ethyl-3-methyl-butanamide
SMILES
C(C)(C)CC(=O)NCC
Common name
N-ethyl-3-methyl-butanamide
IUPAC name
N-ethyl-3-methyl-butanamide
SMILES
C(C)(C)CC(=O)NCC
INCHI
InChI=1S/C7H15NO/c1-4-8-7(9)5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9)
FORMULA
C7H15NO
Common name
N-ethyl-3-methyl-butanamide
IUPAC name
N-ethyl-3-methyl-butanamide
Molecular weight
129.200
clogP
1.005
clogS
-1.862
Frequency
0.0010
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
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. |
| FDBD02965 | benthiavalicarb |
|
Fungicide | Fungicide |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1kvo_ligand_6_2047.mol2 | 1kvo | 1 | -6.99 | CCCC(=O)NC(C)C | 9 |
| 3ggv_ligand_5_2380.mol2 | 3ggv | 1 | -6.96 | C(C(C)(C)C)C(=O)NC(C)C | 11 |
| 1j1a_ligand_6_4543.mol2 | 1j1a | 1 | -6.91 | CC(C)NC(=O)CCC | 9 |
| 2o4k_ligand_4_455.mol2 | 2o4k | 1 | -6.83 | C(C)(C)(C)CC(=O)NCC | 10 |
| 3ekw_ligand_4_455.mol2 | 3ekw | 1 | -6.81 | C(C)NC(=O)CC(C)(C)C | 10 |
| 3eky_ligand_4_455.mol2 | 3eky | 1 | -6.80 | C(C)NC(=O)CC(C)(C)C | 10 |
| 3el9_ligand_4_455.mol2 | 3el9 | 1 | -6.77 | C(C(=O)NCC)C(C)(C)C | 10 |
| 2aqu_ligand_4_455.mol2 | 2aqu | 1 | -6.76 | C(C(=O)NCC)C(C)(C)C | 10 |
| 3el1_ligand_4_455.mol2 | 3el1 | 1 | -6.75 | C(C(=O)NCC)C(C)(C)C | 10 |
291 ,
30
