Common name
N-methoxyethanimine
IUPAC name
N-methoxyethanimine
SMILES
C/C=N\OC
Common name
N-methoxyethanimine
IUPAC name
N-methoxyethanimine
SMILES
C/C=N\OC
INCHI
InChI=1S/C3H7NO/c1-3-4-5-2/h3H,1-2H3/b4-3-
FORMULA
C3H7NO
Common name
N-methoxyethanimine
IUPAC name
N-methoxyethanimine
Molecular weight
73.094
clogP
0.390
clogS
-0.351
Frequency
0.0014
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
21.59
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02310 | thiofluoximate |
|
Insecticide | Insecticide |
| FDBD02447 | pyriminobac |
|
Herbicide | Herbicide |
| FDBD02989 | trifloxystrobin |
|
Fungicide | Fungicide |
| FDBD03039 | pyribencarb |
|
Fungicide | Fungicide |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gs7_ligand_2_7.mol2 | 3gs7 | 0.6 | -5.03 | CON=C | 4 |
| 3fci_ligand_2_6.mol2 | 3fci | 0.6 | -4.85 | CON=C | 4 |
| 3fcf_ligand_2_5.mol2 | 3fcf | 0.6 | -4.84 | C=NOC | 4 |
| 2hxm_ligand_2_5.mol2 | 2hxm | 0.6 | -4.83 | CON=C | 4 |
| 2hxm_ligand_3_10.mol2 | 2hxm | 0.538462 | -5.02 | CCON=C | 5 |
| 3fcf_ligand_3_10.mol2 | 3fcf | 0.538462 | -5.02 | CCON=C | 5 |
105 ,
11
