Common name
N-methylideneformamide
IUPAC name
N-methylideneformamide
SMILES
C(=O)N=C
Common name
N-methylideneformamide
IUPAC name
N-methylideneformamide
SMILES
C(=O)N=C
INCHI
InChI=1S/C2H3NO/c1-3-2-4/h2H,1H2
FORMULA
C2H3NO
Common name
N-methylideneformamide
IUPAC name
N-methylideneformamide
Molecular weight
57.051
clogP
0.456
clogS
-0.093
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
29.43
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02336 | fluxametamide |
|
Insecticide | Insecticide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1hxw_ligand_frag_9.mol2 | 1hxw | 0.75 | -5.14 | NC(=O)N=C | 5 |
| 1mjj_ligand_2_12.mol2 | 1mjj | 0.6 | -5.88 | C(=N\C=O)/C | 5 |
| 1mh5_ligand_2_12.mol2 | 1mh5 | 0.6 | -5.79 | N(=C\C)/C=O | 5 |
| 1r6g_ligand_2_18.mol2 | 1r6g | 0.6 | -5.62 | C(=O)/N=C/C | 5 |
| 3n7o_ligand_frag_0.mol2 | 3n7o | 0.6 | -5.50 | C/C=N/C=O | 5 |
| 2wtj_ligand_2_4.mol2 | 2wtj | 0.6 | -5.47 | N(=C\C)/C=O | 5 |
| 4imq_ligand_2_58.mol2 | 4imq | 0.6 | -5.43 | C/C=N/C=O | 5 |
| 4ngr_ligand_2_85.mol2 | 4ngr | 0.6 | -5.39 | C(=N\C=O)/C | 5 |
4342 ,
435
