Common name
N-methylacetamide
IUPAC name
N-methylacetamide
SMILES
N(C(=O)C)C
Common name
N-methylacetamide
IUPAC name
N-methylacetamide
SMILES
N(C(=O)C)C
INCHI
InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)
FORMULA
C3H7NO
Common name
N-methylacetamide
IUPAC name
N-methylacetamide
Molecular weight
73.094
clogP
-0.391
clogS
-0.518
Frequency
0.0175
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02911 | mandipropamid |
|
Fungicide | Fungicide |
51 ,
6
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1oth_ligand_2_12.mol2 | 1oth | 1 | -6.03 | CNC(=O)C | 5 |
| 2h3e_ligand_2_4.mol2 | 2h3e | 1 | -6.02 | C(=O)(NC)C | 5 |
| 1a7c_ligand_2_82.mol2 | 1a7c | 1 | -5.96 | CNC(=O)C | 5 |
| 2g1r_ligand_1_4.mol2 | 2g1r | 1 | -5.95 | CNC(=O)C | 5 |
| 5abe_ligand_1_0.mol2 | 5abe | 1 | -5.95 | CC(=O)NC | 5 |
| 5abh_ligand_1_6.mol2 | 5abh | 1 | -5.95 | CC(=O)NC | 5 |
| 1a7c_ligand_1_0.mol2 | 1a7c | 1 | -5.91 | N(C(=O)C)C | 5 |
| 1css_ligand_2_165.mol2 | 1css | 1 | -5.91 | CC(=O)NC | 5 |
1405 ,
141
