Common name
2-chloro-N-methylacetamide
IUPAC name
2-chloro-N-methylacetamide
SMILES
CNC(=O)CCl
Common name
2-chloro-N-methylacetamide
IUPAC name
2-chloro-N-methylacetamide
SMILES
CNC(=O)CCl
INCHI
InChI=1S/C3H6ClNO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6)
FORMULA
C3H6ClNO
Common name
2-chloro-N-methylacetamide
IUPAC name
2-chloro-N-methylacetamide
Molecular weight
107.539
clogP
0.316
clogS
-1.222
Frequency
0.0045
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 |
|---|---|---|---|---|
| FDBD02351 | allidochlor |
|
Herbicide | Herbicide |
| FDBD02406 | acetochlor |
|
Herbicide | Herbicide |
| FDBD02407 | alachlor |
|
Herbicide | Herbicide |
| FDBD02409 | butachlor |
|
Herbicide | Herbicide |
| FDBD02410 | butenachlor |
|
Herbicide | Herbicide |
| FDBD02411 | delachlor |
|
Herbicide | Herbicide |
| FDBD02412 | dimethachlor |
|
Herbicide | Herbicide |
| FDBD02413 | ethachlor |
|
Herbicide | Herbicide |
| FDBD02415 | metazachlor |
|
Herbicide | Herbicide |
| FDBD02418 | pretilachlor |
|
Herbicide | Herbicide |
13 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4djo_ligand_2_104.mol2 | 4djo | 0.9375 | -5.81 | C(Cl)(Cl)C(=O)NC | 7 |
| 4zow_ligand_2_0.mol2 | 4zow | 0.9375 | -5.80 | C(Cl)(Cl)C(=O)NC | 7 |
| 1ct8_ligand_2_41.mol2 | 1ct8 | 0.9375 | -5.65 | CNC(=O)C(Cl)Cl | 7 |
| 4djo_ligand_3_454.mol2 | 4djo | 0.789474 | -6.10 | C(Cl)(Cl)C(=O)NCC | 8 |
| 1ct8_ligand_3_131.mol2 | 1ct8 | 0.789474 | -5.82 | CCNC(=O)C(Cl)Cl | 8 |
| 2gde_ligand_2_45.mol2 | 2gde | 0.764706 | -5.15 | N(C=O)CCCl | 6 |
| 2gde_ligand_3_186.mol2 | 2gde | 0.736842 | -5.30 | N(C(=O)C)CCCl | 7 |
| 4zow_ligand_1_0.mol2 | 4zow | 0.6875 | -5.65 | C(Cl)(Cl)C(=O)N | 6 |
1418 ,
142
