Common name
2-chloroacetamide
IUPAC name
2-chloroacetamide
SMILES
NC(=O)CCl
Common name
2-chloroacetamide
IUPAC name
2-chloroacetamide
SMILES
NC(=O)CCl
INCHI
InChI=1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)
FORMULA
C2H4ClNO
Common name
2-chloroacetamide
IUPAC name
2-chloroacetamide
Molecular weight
93.512
clogP
0.075
clogS
-0.400
Frequency
0.0082
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
43.09
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02351 | allidochlor |
|
Herbicide | Herbicide |
| FDBD02358 | CDEA |
|
Herbicide | Herbicide |
| FDBD02360 | dimethenamid |
|
Herbicide | Herbicide |
| FDBD02361 | dimethenamid-P |
|
Herbicide | Herbicide |
| FDBD02406 | acetochlor |
|
Herbicide | Herbicide |
| FDBD02407 | alachlor |
|
Herbicide | Herbicide |
| FDBD02408 | amidochlor |
|
Herbicide | Herbicide |
| FDBD02409 | butachlor |
|
Herbicide | Herbicide |
| FDBD02410 | butenachlor |
|
Herbicide | Herbicide |
| FDBD02411 | delachlor |
|
Herbicide | Herbicide |
24 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zow_ligand_1_0.mol2 | 4zow | 0.916667 | -5.65 | C(Cl)(Cl)C(=O)N | 6 |
| 4djo_ligand_1_14.mol2 | 4djo | 0.916667 | -5.61 | C(Cl)(Cl)C(=O)N | 6 |
| 1ct8_ligand_1_7.mol2 | 1ct8 | 0.916667 | -5.58 | ClC(Cl)C(=O)N | 6 |
| 4djo_ligand_2_104.mol2 | 4djo | 0.6875 | -5.81 | C(Cl)(Cl)C(=O)NC | 7 |
| 4zow_ligand_2_0.mol2 | 4zow | 0.6875 | -5.80 | C(Cl)(Cl)C(=O)NC | 7 |
| 1ct8_ligand_2_41.mol2 | 1ct8 | 0.6875 | -5.65 | CNC(=O)C(Cl)Cl | 7 |
| 1sr7_ligand_1_2.mol2 | 1sr7 | 0.636364 | -5.38 | C(=O)CCl | 4 |
| 4hj2_ligand_2_122.mol2 | 4hj2 | 0.636364 | -5.04 | C(CCl)[NH3+] | 4 |
| 4djo_ligand_3_454.mol2 | 4djo | 0.578947 | -6.10 | C(Cl)(Cl)C(=O)NCC | 8 |
| 1ct8_ligand_3_131.mol2 | 1ct8 | 0.578947 | -5.82 | CCNC(=O)C(Cl)Cl | 8 |
2574 ,
258
