Common name
2,2-dichloroacetamide
IUPAC name
2,2-dichloroacetamide
SMILES
ClC(Cl)C(=O)N
Common name
2,2-dichloroacetamide
IUPAC name
2,2-dichloroacetamide
SMILES
ClC(Cl)C(=O)N
INCHI
InChI=1S/C2H3Cl2NO/c3-1(4)2(5)6/h1H,(H2,5,6)
FORMULA
C2H3Cl2NO
Common name
2,2-dichloroacetamide
IUPAC name
2,2-dichloroacetamide
Molecular weight
127.957
clogP
0.701
clogS
-0.711
Frequency
0.0003
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 |
|---|---|---|---|---|
| FDBD00322 | Chloramphenicol |
|
Anti-Bacterial Agents; Protein Synthesis Inhibitors; Anti-Acne Preparations; Antibiotics; Ophthalmologicals; Sensory Organs; Genito Urinary System and Sex Hormones; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Dermatologicals; Gynecological Antiinfectives and Antiseptics; Anti-Acne Preparations for Topical Use; Antiinfectives; Antiinfectives for Treatment of Acne; Antibacterials for Intramammary Use; Otologicals; Antibiotics for Topical Use; Ophthalmological and Otological Preparations; Amphenicols; Amphenicols for Intramammary Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | Used in treatment of cholera, as it destroys the vibrios and decreases the diarrhea. It is effective against tetracycline-resistant vibrios. It is also used in eye drops or ointment to treat bacterial conjunctivitis. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zow_ligand_1_0.mol2 | 4zow | 1 | -5.65 | C(Cl)(Cl)C(=O)N | 6 |
| 4djo_ligand_1_14.mol2 | 4djo | 1 | -5.61 | C(Cl)(Cl)C(=O)N | 6 |
| 1ct8_ligand_1_7.mol2 | 1ct8 | 1 | -5.58 | ClC(Cl)C(=O)N | 6 |
| 4djo_ligand_2_104.mol2 | 4djo | 0.75 | -5.81 | C(Cl)(Cl)C(=O)NC | 7 |
| 4zow_ligand_2_0.mol2 | 4zow | 0.75 | -5.80 | C(Cl)(Cl)C(=O)NC | 7 |
| 1ct8_ligand_2_41.mol2 | 1ct8 | 0.75 | -5.65 | CNC(=O)C(Cl)Cl | 7 |
| 4djo_ligand_3_454.mol2 | 4djo | 0.631579 | -6.10 | C(Cl)(Cl)C(=O)NCC | 8 |
| 1ct8_ligand_3_131.mol2 | 1ct8 | 0.631579 | -5.82 | CCNC(=O)C(Cl)Cl | 8 |
| 1sr7_ligand_1_2.mol2 | 1sr7 | 0.583333 | -5.38 | C(=O)CCl | 4 |
| 4hj2_ligand_2_122.mol2 | 4hj2 | 0.583333 | -5.04 | C(CCl)[NH3+] | 4 |
2582 ,
259
