Common name
ethyl carbamate
IUPAC name
ethyl carbamate
SMILES
CCOC(=O)N
Common name
ethyl carbamate
IUPAC name
ethyl carbamate
SMILES
CCOC(=O)N
INCHI
InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)
FORMULA
C3H7NO2
Common name
ethyl carbamate
IUPAC name
ethyl carbamate
Molecular weight
89.093
clogP
-0.722
clogS
0.097
Frequency
0.0055
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
52.32
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02485 | BCPC |
|
Herbicide | Herbicide |
| FDBD02488 | chlorbufam |
|
Herbicide | Herbicide |
| FDBD02490 | CPPC |
|
Herbicide | Herbicide |
| FDBD02491 | desmedipham |
|
Herbicide | Herbicide |
| FDBD02494 | phenmedipham-ethyl |
|
Herbicide | Herbicide |
| FDBD03012 | debacarb |
|
Fungicide | Fungicide |
16 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1uv6_ligand_2_2.mol2 | 1uv6 | 1 | -5.74 | C(OC(=O)N)C | 6 |
| 4r1y_ligand_2_46.mol2 | 4r1y | 1 | -5.63 | C(OC(=O)N)C | 6 |
| 2aux_ligand_2_26.mol2 | 2aux | 1 | -5.60 | NC(=O)OCC | 6 |
| 1yt7_ligand_2_45.mol2 | 1yt7 | 1 | -5.55 | C(OC(=O)N)C | 6 |
| 4djo_ligand_2_99.mol2 | 4djo | 1 | -5.46 | NC(=O)OCC | 6 |
| 2fs9_ligand_1_6.mol2 | 2fs9 | 1 | -5.40 | C(=O)(N)OCC | 6 |
| 4djq_ligand_2_88.mol2 | 4djq | 1 | -5.40 | CCOC(=O)N | 6 |
| 3hhu_ligand_1_0.mol2 | 3hhu | 1 | -5.28 | CCOC(=O)N | 6 |
| 3jvr_ligand_1_0.mol2 | 3jvr | 1 | -5.28 | C(C)OC(=O)N | 6 |
144 ,
15
