Common name
3-methoxypropanamide
IUPAC name
3-methoxypropanamide
SMILES
C(CC(=O)N)OC
Common name
3-methoxypropanamide
IUPAC name
3-methoxypropanamide
SMILES
C(CC(=O)N)OC
INCHI
InChI=1S/C4H9NO2/c1-7-3-2-4(5)6/h2-3H2,1H3,(H2,5,6)
FORMULA
C4H9NO2
Common name
3-methoxypropanamide
IUPAC name
3-methoxypropanamide
Molecular weight
103.120
clogP
-0.414
clogS
-0.333
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
52.32
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_4_56.mol2 | 1vj9 | 1 | -5.10 | C(=O)(N)CCOC | 7 |
| 4ngp_ligand_4_812.mol2 | 4ngp | 1 | -4.97 | COCCC(=O)N | 7 |
| 3ieo_ligand_3_4.mol2 | 3ieo | 1 | -4.79 | C(=O)(N)CCOC | 7 |
| 1vj9_ligand_5_178.mol2 | 1vj9 | 0.76 | -5.23 | C(=O)(NC)CCOC | 8 |
| 4ngp_ligand_5_676.mol2 | 4ngp | 0.76 | -5.08 | CNC(=O)CCOC | 8 |
| 3ieo_ligand_4_6.mol2 | 3ieo | 0.76 | -4.88 | C(=O)(NC)CCOC | 8 |
| 3ens_ligand_frag_2.mol2 | 3ens | 0.727273 | -5.49 | [C@@H](C)(C(=O)OC)C[NH3+] | 8 |
| 5cf4_ligand_4_67.mol2 | 5cf4 | 0.684211 | -5.40 | C(CCOC)[NH3+] | 6 |
| 4k43_ligand_3_144.mol2 | 4k43 | 0.684211 | -5.27 | C(OC)[C@@H](C)C=O | 7 |
| 4xs2_ligand_4_124.mol2 | 4xs2 | 0.684211 | -5.22 | O(C)CCC[NH3+] | 6 |
139 ,
14
