Common name
1-propylpyrrolidin-2-one
IUPAC name
1-propylpyrrolidin-2-one
SMILES
C(C)CN1C(=O)CCC1
Common name
1-propylpyrrolidin-2-one
IUPAC name
1-propylpyrrolidin-2-one
SMILES
C(C)CN1C(=O)CCC1
INCHI
InChI=1S/C7H13NO/c1-2-5-8-6-3-4-7(8)9/h2-6H2,1H3
FORMULA
C7H13NO
Common name
1-propylpyrrolidin-2-one
IUPAC name
1-propylpyrrolidin-2-one
Molecular weight
127.184
clogP
1.394
clogS
-1.370
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
20.31
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01048 | Levetiracetam |
|
Nootropic Agents; Anticonvulsants; Nervous System; Antiepileptics; | Used as adjunctive therapy in the treatment of partial onset seizures in adults and children 4 years of age and older with epilepsy. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1b6k_ligand_2_1.mol2 | 1b6k | 1 | -6.34 | C1CC(=O)N(C1)CC(C)C | 10 |
| 4ff8_ligand_3_0.mol2 | 4ff8 | 1 | -5.57 | O=C1CCCN1CCC | 9 |
| 2jh0_ligand_1_2.mol2 | 2jh0 | 0.961538 | -5.70 | C1CCN(C1=O)CC | 8 |
| 2jh5_ligand_1_2.mol2 | 2jh5 | 0.961538 | -5.70 | C(C)N1CCCC1=O | 8 |
| 2uwo_ligand_1_2.mol2 | 2uwo | 0.961538 | -5.70 | C(C)N1CCCC1=O | 8 |
104 ,
11
