Common name
(2R)-2-acetamido-N-methyl-propanamide
IUPAC name
(2R)-2-acetamido-N-methyl-propanamide
SMILES
CNC(=O)C(C)NC(=O)C
Common name
(2R)-2-acetamido-N-methyl-propanamide
IUPAC name
(2R)-2-acetamido-N-methyl-propanamide
SMILES
CNC(=O)C(C)NC(=O)C
INCHI
InChI=1S/C6H12N2O2/c1-4(6(10)7-3)8-5(2)9/h4H,1-3H3,(H,7,10)(H,8,9)/t4-/m1/s1
FORMULA
C6H12N2O2
Common name
(2R)-2-acetamido-N-methyl-propanamide
IUPAC name
(2R)-2-acetamido-N-methyl-propanamide
Molecular weight
144.172
clogP
-0.433
clogS
-1.068
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
58.2
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01392 | Lacosamide |
|
Anticonvulsants; Nervous System; Antiepileptics; | Lacosamide is indicated for adjunctive therapy for partial onset seizures in patients with epilepsy over 17 years old. Injection is indicated for short term use when oral therapy is not feasible. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1a7c_ligand_4_819.mol2 | 1a7c | 1 | -6.77 | CC(=O)N[C@@H](C)C(=O)NC | 10 |
| 4j7i_ligand_5_5519.mol2 | 4j7i | 1 | -6.43 | C[C@H](NC(=O)C)C(=O)NC | 10 |
| 1mnc_ligand_4_117.mol2 | 1mnc | 1 | -6.34 | C[C@@H](C(=O)NC)NC(=O)C | 10 |
| 1jao_ligand_4_32.mol2 | 1jao | 1 | -6.31 | CNC(=O)[C@@H](NC(=O)C)C | 10 |
| 1rm8_ligand_4_486.mol2 | 1rm8 | 1 | -6.31 | C(=O)(N[C@@H](C)C(=O)NC)C | 10 |
| 1w6h_ligand_4_2751.mol2 | 1w6h | 1 | -6.31 | N(C(=O)[C@H](C)NC(=O)C)C | 10 |
| 1gmy_ligand_5_71.mol2 | 1gmy | 1 | -6.28 | CC(=O)N[C@@H](C)C(=O)NC | 10 |
293 ,
30
