Common name
3-methoxy-N-methyl-propanamide
IUPAC name
3-methoxy-N-methyl-propanamide
SMILES
CNC(=O)CCOC
Common name
3-methoxy-N-methyl-propanamide
IUPAC name
3-methoxy-N-methyl-propanamide
SMILES
CNC(=O)CCOC
INCHI
InChI=1S/C5H11NO2/c1-6-5(7)3-4-8-2/h3-4H2,1-2H3,(H,6,7)
FORMULA
C5H11NO2
Common name
3-methoxy-N-methyl-propanamide
IUPAC name
3-methoxy-N-methyl-propanamide
Molecular weight
117.146
clogP
0.016
clogS
-1.152
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
38.33
Number of Rings
0
Rotatable Bond
3
| 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 |
|---|---|---|---|---|---|
| 1vj9_ligand_5_178.mol2 | 1vj9 | 1 | -5.23 | C(=O)(NC)CCOC | 8 |
| 4ngp_ligand_5_676.mol2 | 4ngp | 1 | -5.08 | CNC(=O)CCOC | 8 |
| 3ieo_ligand_4_6.mol2 | 3ieo | 1 | -4.88 | C(=O)(NC)CCOC | 8 |
| 2fxu_ligand_3_6.mol2 | 2fxu | 0.76 | -6.22 | [C@@H](C)(C(=O)NC)CO | 8 |
| 1a7c_ligand_3_354.mol2 | 1a7c | 0.76 | -5.95 | CNC(=O)CCO | 7 |
| 3hy7_ligand_4_12.mol2 | 3hy7 | 0.76 | -5.84 | N(C(=O)[C@@H](CO)C)C | 8 |
| 3dm6_ligand_3_540.mol2 | 3dm6 | 0.76 | -5.74 | C(=O)(NC)CCO | 7 |
149 ,
15
