Common name
N-ethylformamide
IUPAC name
N-ethylformamide
SMILES
C(NC=O)C
Common name
N-ethylformamide
IUPAC name
N-ethylformamide
SMILES
C(NC=O)C
INCHI
InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)
FORMULA
C3H7NO
Common name
N-ethylformamide
IUPAC name
N-ethylformamide
Molecular weight
73.094
clogP
-0.237
clogS
-0.536
Frequency
0.0065
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02421 | prynachlor |
|
Herbicide | Herbicide |
| FDBD02693 | diethamquat |
|
Herbicide | Herbicide |
| FDBD02894 | cymoxanil |
|
Fungicide | Fungicide |
| FDBD02902 | diclocymet |
|
Fungicide | Fungicide |
| FDBD02911 | mandipropamid |
|
Fungicide | Fungicide |
| FDBD02958 | zoxamide |
|
Fungicide | Fungicide |
| FDBD03036 | iodocarb |
|
Fungicide | Fungicide |
| FDBD03040 | tolprocarb |
|
Fungicide | Fungicide |
| FDBD03188 | pydiflumetofen |
|
Fungicide | Fungicide |
19 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3b_ligand_2_4.mol2 | 4m3b | 1 | -6.02 | C(NC=O)C | 5 |
| 4m3d_ligand_2_25.mol2 | 4m3d | 1 | -5.99 | C(=O)NCC | 5 |
| 4m3e_ligand_2_8.mol2 | 4m3e | 1 | -5.97 | CCNC=O | 5 |
| 1oth_ligand_2_9.mol2 | 1oth | 1 | -5.96 | CCNC=O | 5 |
| 3i1y_ligand_2_2.mol2 | 3i1y | 1 | -5.90 | C(NC=O)C | 5 |
| 1qf1_ligand_2_36.mol2 | 1qf1 | 1 | -5.89 | C(=O)NCC | 5 |
| 2xfk_ligand_2_42.mol2 | 2xfk | 1 | -5.87 | C(=O)NCC | 5 |
| 3i28_ligand_2_11.mol2 | 3i28 | 1 | -5.87 | C(=O)NCC | 5 |
| 1qf0_ligand_2_25.mol2 | 1qf0 | 1 | -5.86 | C(=O)NCC | 5 |
| 2xfi_ligand_2_34.mol2 | 2xfi | 1 | -5.86 | CCNC=O | 5 |
1465 ,
147
