Common name
2-chloro-N-(hydroxymethyl)acetamide
IUPAC name
2-chloro-N-(hydroxymethyl)acetamide
SMILES
C(NC(=O)CCl)O
Common name
2-chloro-N-(hydroxymethyl)acetamide
IUPAC name
2-chloro-N-(hydroxymethyl)acetamide
SMILES
C(NC(=O)CCl)O
INCHI
InChI=1S/C3H6ClNO2/c4-1-3(7)5-2-6/h6H,1-2H2,(H,5,7)
FORMULA
C3H6ClNO2
Common name
2-chloro-N-(hydroxymethyl)acetamide
IUPAC name
2-chloro-N-(hydroxymethyl)acetamide
Molecular weight
123.538
clogP
-0.095
clogS
-0.686
Frequency
0.0024
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
49.33
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02406 | acetochlor |
|
Herbicide | Herbicide |
| FDBD02409 | butachlor |
|
Herbicide | Herbicide |
| FDBD02410 | butenachlor |
|
Herbicide | Herbicide |
| FDBD02411 | delachlor |
|
Herbicide | Herbicide |
| FDBD02413 | ethachlor |
|
Herbicide | Herbicide |
| FDBD02420 | propisochlor |
|
Herbicide | Herbicide |
| FDBD02422 | terbuchlor |
|
Herbicide | Herbicide |
7 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4djo_ligand_2_104.mol2 | 4djo | 0.681818 | -5.81 | C(Cl)(Cl)C(=O)NC | 7 |
| 4zow_ligand_2_0.mol2 | 4zow | 0.681818 | -5.80 | C(Cl)(Cl)C(=O)NC | 7 |
| 1ct8_ligand_2_41.mol2 | 1ct8 | 0.681818 | -5.65 | CNC(=O)C(Cl)Cl | 7 |
| 4djo_ligand_3_454.mol2 | 4djo | 0.6 | -6.10 | C(Cl)(Cl)C(=O)NCC | 8 |
| 1ct8_ligand_3_131.mol2 | 1ct8 | 0.6 | -5.82 | CCNC(=O)C(Cl)Cl | 8 |
| 2gde_ligand_2_45.mol2 | 2gde | 0.565217 | -5.15 | N(C=O)CCCl | 6 |
| 2gde_ligand_3_186.mol2 | 2gde | 0.56 | -5.30 | N(C(=O)C)CCCl | 7 |
| 4gtr_ligand_1_1.mol2 | 4gtr | 0.521739 | -5.86 | N(C(=O)O)CC | 6 |
246 ,
25
