Common name
methyl N-methoxycarbamate
IUPAC name
methyl N-methoxycarbamate
SMILES
COC(=O)NOC
Common name
methyl N-methoxycarbamate
IUPAC name
methyl N-methoxycarbamate
SMILES
COC(=O)NOC
INCHI
InChI=1S/C3H7NO3/c1-6-3(5)4-7-2/h1-2H3,(H,4,5)
FORMULA
C3H7NO3
Common name
methyl N-methoxycarbamate
IUPAC name
methyl N-methoxycarbamate
Molecular weight
105.093
clogP
-0.918
clogS
-0.065
Frequency
0.0010
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
47.56
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02985 | pyraclostrobin |
|
Fungicide | Fungicide |
| FDBD02986 | pyrametostrobin |
|
Fungicide | Fungicide |
| FDBD02987 | triclopyricarb |
|
Fungicide | Fungicide |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2rg6_ligand_1_5.mol2 | 2rg6 | 0.526316 | -5.57 | C(=O)NOC | 5 |
| 2rg5_ligand_1_4.mol2 | 2rg5 | 0.526316 | -5.50 | O(C)NC=O | 5 |
| 4x68_ligand_2_6.mol2 | 4x68 | 0.526316 | -5.41 | C(=O)NOC | 5 |
| 1d8e_ligand_2_49.mol2 | 1d8e | 0.526316 | -5.06 | CONC=O | 5 |
169 ,
17
