Common name
N-methoxy-1-phenylmethanimine
IUPAC name
N-methoxy-1-phenylmethanimine
SMILES
O(/N=C/c1ccccc1)C
Common name
N-methoxy-1-phenylmethanimine
IUPAC name
N-methoxy-1-phenylmethanimine
SMILES
O(/N=C/c1ccccc1)C
INCHI
InChI=1S/C8H9NO/c1-10-9-7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7+
FORMULA
C8H9NO
Common name
N-methoxy-1-phenylmethanimine
IUPAC name
N-methoxy-1-phenylmethanimine
Molecular weight
135.163
clogP
2.155
clogS
-1.829
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
21.59
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03037 | picarbutrazox |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gs7_ligand_3_6.mol2 | 3gs7 | 1 | -6.67 | CO/N=C\c1ccccc1 | 10 |
| 3gs7_ligand_2_4.mol2 | 3gs7 | 0.8 | -6.66 | c1ccccc1/C=N\O | 9 |
| 1yt9_ligand_1_13.mol2 | 1yt9 | 0.8 | -6.56 | N(=C\c1ccccc1)/O | 9 |
| 2ooz_ligand.mol2 | 2ooz | 0.675676 | -7.36 | Oc1ccc(cc1)/C=N/O | 11 |
| 3gs7_ligand_4_0.mol2 | 3gs7 | 0.638298 | -6.65 | CO/N=C\c1c(OC)cccc1 | 12 |
| 2gpp_ligand_1_2.mol2 | 2gpp | 0.6 | -6.94 | c1ccc(cc1)C=N | 8 |
| 3mlb_ligand_1_1.mol2 | 3mlb | 0.6 | -6.91 | C(=N)c1ccccc1 | 8 |
| 3mlb_ligand_1_0.mol2 | 3mlb | 0.6 | -6.90 | C(=N)c1ccccc1 | 8 |
| 3gs7_ligand_1_1.mol2 | 3gs7 | 0.6 | -6.58 | c1ccccc1C=N | 8 |
| 2qg2_ligand_1_1.mol2 | 2qg2 | 0.6 | -6.45 | N=Cc1ccccc1 | 8 |
291 ,
30
