Common name
N-ethyl-3,3-dimethyl-butanamide
IUPAC name
N-ethyl-3,3-dimethyl-butanamide
SMILES
C(C)(C)(C)CC(=O)NCC
Common name
N-ethyl-3,3-dimethyl-butanamide
IUPAC name
N-ethyl-3,3-dimethyl-butanamide
SMILES
C(C)(C)(C)CC(=O)NCC
INCHI
InChI=1S/C8H17NO/c1-5-9-7(10)6-8(2,3)4/h5-6H2,1-4H3,(H,9,10)
FORMULA
C8H17NO
Common name
N-ethyl-3,3-dimethyl-butanamide
IUPAC name
N-ethyl-3,3-dimethyl-butanamide
Molecular weight
143.227
clogP
1.275
clogS
-2.263
Frequency
0.0003
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 |
|---|---|---|---|---|
| FDBD00923 | Atazanavir |
|
Anti-HIV Agents; Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Used in combination with other antiretroviral agents for the treatment of HIV-1 infection, as well as postexposure prophylaxis of HIV infection in individuals who have had occupational or nonoccupational exposure to potentially infectious body fluids of a person known to be infected with HIV when that exposure represents a substantial risk for HIV transmission. |
1 ,
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
