Common name
N-methyl-N-methylsulfonylacetamide
IUPAC name
N-methyl-N-methylsulfonylacetamide
SMILES
CC(=O)N(C)S(=O)(=O)C
Common name
N-methyl-N-methylsulfonylacetamide
IUPAC name
N-methyl-N-methylsulfonylacetamide
SMILES
CC(=O)N(C)S(=O)(=O)C
INCHI
InChI=1S/C4H9NO3S/c1-4(6)5(2)9(3,7)8/h1-3H3
FORMULA
C4H9NO3S
Common name
N-methyl-N-methylsulfonylacetamide
IUPAC name
N-methyl-N-methylsulfonylacetamide
Molecular weight
151.184
clogP
-1.189
clogS
-0.234
Frequency
0.0003
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
54.45
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02370 | huangcaoling |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4b81_ligand_3_4.mol2 | 4b81 | 0.666667 | -5.79 | CS(=O)(=O)NCC | 7 |
| 4q1f_ligand_2_0.mol2 | 4q1f | 0.666667 | -5.78 | CS(=O)(=O)NCC | 7 |
| 4b7z_ligand_3_4.mol2 | 4b7z | 0.666667 | -5.77 | CCNS(=O)(=O)C | 7 |
| 4jt9_ligand_2_0.mol2 | 4jt9 | 0.666667 | -5.76 | CCNS(=O)(=O)C | 7 |
| 4b80_ligand_3_4.mol2 | 4b80 | 0.666667 | -5.74 | CS(=O)(=O)NCC | 7 |
| 4kb7_ligand_2_8.mol2 | 4kb7 | 0.666667 | -5.63 | C(C)NS(=O)(=O)C | 7 |
| 4q1b_ligand_2_0.mol2 | 4q1b | 0.666667 | -5.59 | CS(=O)(=O)NCC | 7 |
| 4kcg_ligand_2_0.mol2 | 4kcg | 0.666667 | -5.57 | C(NS(=O)(=O)C)C | 7 |
| 2j4i_ligand_2_0.mol2 | 2j4i | 0.666667 | -5.44 | C(NS(=O)(=O)C)C | 7 |
101 ,
11
