Common name
2-methoxyethanimine
IUPAC name
2-methoxyethanimine
SMILES
COCC=N
Common name
2-methoxyethanimine
IUPAC name
2-methoxyethanimine
SMILES
COCC=N
INCHI
InChI=1S/C3H7NO/c1-5-3-2-4/h2,4H,3H2,1H3
FORMULA
C3H7NO
Common name
2-methoxyethanimine
IUPAC name
2-methoxyethanimine
Molecular weight
73.094
clogP
0.212
clogS
-0.369
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
33.08
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03047 | triflumizole |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gj7_ligand_2_65.mol2 | 4gj7 | 0.555556 | -5.76 | O(C)CC | 4 |
| 2v0z_ligand_2_0.mol2 | 2v0z | 0.555556 | -5.73 | CCOC | 4 |
| 4ryc_ligand_2_50.mol2 | 4ryc | 0.555556 | -5.73 | CCOC | 4 |
| 4rz1_ligand_2_57.mol2 | 4rz1 | 0.555556 | -5.72 | O(C)CC | 4 |
| 4ryg_ligand_2_69.mol2 | 4ryg | 0.555556 | -5.71 | O(C)CC | 4 |
| 4gjd_ligand_2_44.mol2 | 4gjd | 0.555556 | -5.69 | O(C)CC | 4 |
| 3gw5_ligand_2_30.mol2 | 3gw5 | 0.555556 | -5.68 | C(OC)C | 4 |
| 2g1y_ligand_2_14.mol2 | 2g1y | 0.555556 | -5.66 | O(C)CC | 4 |
| 2v12_ligand_2_0.mol2 | 2v12 | 0.555556 | -5.66 | C(OC)C | 4 |
183 ,
19
