Common name
2-chloro-N-(methoxymethyl)acetamide
IUPAC name
2-chloro-N-(methoxymethyl)acetamide
SMILES
N(C(=O)CCl)COC
Common name
2-chloro-N-(methoxymethyl)acetamide
IUPAC name
2-chloro-N-(methoxymethyl)acetamide
SMILES
N(C(=O)CCl)COC
INCHI
InChI=1S/C4H8ClNO2/c1-8-3-6-4(7)2-5/h2-3H2,1H3,(H,6,7)
FORMULA
C4H8ClNO2
Common name
2-chloro-N-(methoxymethyl)acetamide
IUPAC name
2-chloro-N-(methoxymethyl)acetamide
Molecular weight
137.565
clogP
0.317
clogS
-1.404
Frequency
0.0017
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
38.33
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02407 | alachlor |
|
Herbicide | Herbicide |
| FDBD02409 | butachlor |
|
Herbicide | Herbicide |
| FDBD02410 | butenachlor |
|
Herbicide | Herbicide |
| FDBD02411 | delachlor |
|
Herbicide | Herbicide |
| FDBD02422 | terbuchlor |
|
Herbicide | Herbicide |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4djo_ligand_2_104.mol2 | 4djo | 0.535714 | -5.81 | C(Cl)(Cl)C(=O)NC | 7 |
| 4zow_ligand_2_0.mol2 | 4zow | 0.535714 | -5.80 | C(Cl)(Cl)C(=O)NC | 7 |
| 1ct8_ligand_2_41.mol2 | 1ct8 | 0.535714 | -5.65 | CNC(=O)C(Cl)Cl | 7 |
| 4tmn_ligand_3_150.mol2 | 4tmn | 0.533333 | -5.77 | COC(=O)NCC | 7 |
| 1tu6_ligand_3_65.mol2 | 1tu6 | 0.533333 | -5.75 | CCNC(=O)OC | 7 |
| 2xy9_ligand_3_91.mol2 | 2xy9 | 0.533333 | -5.70 | COC(=O)NCC | 7 |
| 2oc2_ligand_3_156.mol2 | 2oc2 | 0.533333 | -5.69 | C(C)NC(=O)OC | 7 |
175 ,
18
