Common name
N-(2,2-dimethylpropyl)formamide
IUPAC name
N-(2,2-dimethylpropyl)formamide
SMILES
O=CNCC(C)(C)C
Common name
N-(2,2-dimethylpropyl)formamide
IUPAC name
N-(2,2-dimethylpropyl)formamide
SMILES
O=CNCC(C)(C)C
INCHI
InChI=1S/C6H13NO/c1-6(2,3)4-7-5-8/h5H,4H2,1-3H3,(H,7,8)
FORMULA
C6H13NO
Common name
N-(2,2-dimethylpropyl)formamide
IUPAC name
N-(2,2-dimethylpropyl)formamide
Molecular weight
115.174
clogP
0.588
clogS
-1.440
Frequency
0.0007
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00648 | Marimastat |
|
Enzyme Inhibitors; | For the treatment of various cancers. |
| FDBD01369 | Telaprevir |
|
Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; | Treating chronic hepatitis C virus (genotype 1) infection in patients with compensated liver (due to liver diseases like cirrhosis) that are treatment naive or have failed therapy with interferons (either null or partial responders and treatment relapsers). |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1qkb_ligand_2_50.mol2 | 1qkb | 1 | -6.32 | C(NC=O)C(C)C | 7 |
| 2xye_ligand_2_29.mol2 | 2xye | 1 | -6.29 | C(=O)NCC(C)(C)C | 8 |
| 2f3e_ligand_2_51.mol2 | 2f3e | 1 | -6.23 | C(=O)NCC(C)C | 7 |
| 2g94_ligand_2_143.mol2 | 2g94 | 1 | -6.23 | C(C(C)C)NC=O | 7 |
| 2qzl_ligand_2_77.mol2 | 2qzl | 1 | -6.21 | C(=O)NCC(C)C | 7 |
| 1oth_ligand_3_10.mol2 | 1oth | 1 | -6.18 | CCCNC=O | 6 |
| 1tcw_ligand_2_76.mol2 | 1tcw | 1 | -6.18 | C(NC=O)C(C)C | 7 |
| 2p4j_ligand_2_114.mol2 | 2p4j | 1 | -6.16 | C(=O)NCC(C)C | 7 |
671 ,
68
