Common name
N-phenylmethoxyethanimine
IUPAC name
N-phenylmethoxyethanimine
SMILES
C/C=N\OCc1ccccc1
Common name
N-phenylmethoxyethanimine
IUPAC name
N-phenylmethoxyethanimine
SMILES
C/C=N\OCc1ccccc1
INCHI
InChI=1S/C9H11NO/c1-2-10-11-8-9-6-4-3-5-7-9/h2-7H,8H2,1H3/b10-2-
FORMULA
C9H11NO
Common name
N-phenylmethoxyethanimine
IUPAC name
N-phenylmethoxyethanimine
Molecular weight
149.190
clogP
2.489
clogS
-2.246
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
21.59
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02989 | trifloxystrobin |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gs7_ligand_3_6.mol2 | 3gs7 | 0.585366 | -6.67 | CO/N=C\c1ccccc1 | 10 |
| 3fum_ligand_1_1.mol2 | 3fum | 0.514286 | -7.05 | C(O)c1ccccc1 | 8 |
| 3ful_ligand_1_1.mol2 | 3ful | 0.514286 | -7.03 | OCc1ccccc1 | 8 |
| 3chs_ligand_1_7.mol2 | 3chs | 0.514286 | -7.00 | c1(ccccc1)CO | 8 |
| 2vj8_ligand_2_0.mol2 | 2vj8 | 0.514286 | -6.97 | OCc1ccccc1 | 8 |
| 2bkt_ligand_2_11.mol2 | 2bkt | 0.514286 | -6.96 | c1c(cccc1)CO | 8 |
| 3chr_ligand_2_20.mol2 | 3chr | 0.514286 | -6.93 | OCc1ccccc1 | 8 |
178 ,
18
