Common name
N-(2-oxo-2-pyrrolidin-1-yl-ethyl)formamide
IUPAC name
N-(2-oxo-2-pyrrolidin-1-yl-ethyl)formamide
SMILES
C(NC=O)C(=O)N1CCCC1
Common name
N-(2-oxo-2-pyrrolidin-1-yl-ethyl)formamide
IUPAC name
N-(2-oxo-2-pyrrolidin-1-yl-ethyl)formamide
SMILES
C(NC=O)C(=O)N1CCCC1
INCHI
InChI=1S/C7H12N2O2/c10-6-8-5-7(11)9-3-1-2-4-9/h6H,1-5H2,(H,8,10)
FORMULA
C7H12N2O2
Common name
N-(2-oxo-2-pyrrolidin-1-yl-ethyl)formamide
IUPAC name
N-(2-oxo-2-pyrrolidin-1-yl-ethyl)formamide
Molecular weight
156.182
clogP
0.176
clogS
-0.665
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
49.41
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01682 | Daclatasvir |
|
Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; | Daklinza is used to treat patients who have chronic hepatitis C virus (HCV) genotype 3 infection. Daklinza is typically taken in conjunction with sofosbuvir. (2). |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hl5_ligand_2_1.mol2 | 3hl5 | 1 | -6.18 | O=C(N1CC[C@@H](C1)C)CNC=O | 12 |
| 3gjt_ligand_2_38.mol2 | 3gjt | 1 | -6.10 | C(C(=O)N1CCCC1)NC=O | 11 |
| 2vsl_ligand_2_22.mol2 | 2vsl | 1 | -6.08 | C(=O)(N1CCCC1)CNC=O | 11 |
| 3gta_ligand_2_1.mol2 | 3gta | 1 | -6.08 | N(C=O)CC(=O)N1CCCC1 | 11 |
| 3g76_ligand_2_26.mol2 | 3g76 | 1 | -6.07 | C(C(=O)N1CCCC1)NC=O | 11 |
131 ,
14
