Common name
2-chloro-N-(2-hydroxyethyl)acetamide
IUPAC name
2-chloro-N-(2-hydroxyethyl)acetamide
SMILES
OCCNC(=O)CCl
Common name
2-chloro-N-(2-hydroxyethyl)acetamide
IUPAC name
2-chloro-N-(2-hydroxyethyl)acetamide
SMILES
OCCNC(=O)CCl
INCHI
InChI=1S/C4H8ClNO2/c5-3-4(8)6-1-2-7/h7H,1-3H2,(H,6,8)
FORMULA
C4H8ClNO2
Common name
2-chloro-N-(2-hydroxyethyl)acetamide
IUPAC name
2-chloro-N-(2-hydroxyethyl)acetamide
Molecular weight
137.565
clogP
0.168
clogS
-1.106
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
49.33
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02418 | pretilachlor |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zow_ligand_3_0.mol2 | 4zow | 0.961538 | -6.03 | C(Cl)(Cl)C(=O)NCCO | 9 |
| 4zow_ligand_3_1.mol2 | 4zow | 0.961538 | -5.91 | C(Cl)(Cl)C(=O)NCCO | 9 |
| 1ct8_ligand_3_145.mol2 | 1ct8 | 0.961538 | -5.63 | C(NC(=O)C(Cl)Cl)CO | 9 |
| 1ct8_ligand_4_226.mol2 | 1ct8 | 0.961538 | -5.56 | C(CO)NC(=O)C(Cl)Cl | 9 |
| 1ct8_ligand_4_295.mol2 | 1ct8 | 0.892857 | -5.91 | [C@@H](CO)(C)NC(=O)C(Cl)Cl | 10 |
| 4djo_ligand_3_454.mol2 | 4djo | 0.692308 | -6.10 | C(Cl)(Cl)C(=O)NCC | 8 |
| 1ct8_ligand_3_131.mol2 | 1ct8 | 0.692308 | -5.82 | CCNC(=O)C(Cl)Cl | 8 |
| 1a7c_ligand_3_357.mol2 | 1a7c | 0.68 | -6.06 | C(CO)NC(=O)C | 7 |
250 ,
26
