Common name
(2E)-2-hydroxyimino-N,N-dimethylacetamide
IUPAC name
(2E)-2-hydroxyimino-N,N-dimethylacetamide
SMILES
N(=C\C(=O)N(C)C)/O
Common name
(2E)-2-hydroxyimino-N,N-dimethylacetamide
IUPAC name
(2E)-2-hydroxyimino-N,N-dimethylacetamide
SMILES
N(=C\C(=O)N(C)C)/O
INCHI
InChI=1S/C4H8N2O2/c1-6(2)4(7)3-5-8/h3,8H,1-2H3/b5-3+
FORMULA
C4H8N2O2
Common name
(2E)-2-hydroxyimino-N,N-dimethylacetamide
IUPAC name
(2E)-2-hydroxyimino-N,N-dimethylacetamide
Molecular weight
116.119
clogP
-0.781
clogS
0.596
Frequency
0.0003
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
52.9
Number of Rings
0
Rotatable Bond
2
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ms6_ligand_2_41.mol2 | 1ms6 | 0.545455 | -5.30 | C(C=N)NC=O | 6 |
| 1gmy_ligand_2_0.mol2 | 1gmy | 0.545455 | -5.29 | N(C=O)CC=N | 6 |
| 4mzo_ligand_2_9.mol2 | 4mzo | 0.545455 | -5.26 | C(NC=O)C=N | 6 |
| 4bsq_ligand_2_14.mol2 | 4bsq | 0.545455 | -5.25 | C(C=N)NC=O | 6 |
| 1vsn_ligand_2_24.mol2 | 1vsn | 0.545455 | -5.22 | C(C=N)NC=O | 6 |
| 3hha_ligand_2_18.mol2 | 3hha | 0.545455 | -5.22 | C(=O)NCC=N | 6 |
| 4mzs_ligand_2_9.mol2 | 4mzs | 0.545455 | -5.22 | C(=O)NCC=N | 6 |
| 4piq_ligand_2_35.mol2 | 4piq | 0.545455 | -5.13 | C(=N)CNC=O | 6 |
| 3hwn_ligand_2_33.mol2 | 3hwn | 0.545455 | -5.12 | C(C=N)NC=O | 6 |
| 4wx7_ligand_2_30.mol2 | 4wx7 | 0.545455 | -5.10 | C(=O)NCC=N | 6 |
1445 ,
145
