Common name
2,2-dichloro-N-(2-hydroxyethyl)acetamide
IUPAC name
2,2-dichloro-N-(2-hydroxyethyl)acetamide
SMILES
C(O)CNC(=O)C(Cl)Cl
Common name
2,2-dichloro-N-(2-hydroxyethyl)acetamide
IUPAC name
2,2-dichloro-N-(2-hydroxyethyl)acetamide
SMILES
C(O)CNC(=O)C(Cl)Cl
INCHI
InChI=1S/C4H7Cl2NO2/c5-3(6)4(9)7-1-2-8/h3,8H,1-2H2,(H,7,9)
FORMULA
C4H7Cl2NO2
Common name
2,2-dichloro-N-(2-hydroxyethyl)acetamide
IUPAC name
2,2-dichloro-N-(2-hydroxyethyl)acetamide
Molecular weight
172.010
clogP
0.660
clogS
-1.391
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 |
|---|---|---|---|---|
| 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_3_0.mol2 | 4zow | 1 | -6.03 | C(Cl)(Cl)C(=O)NCCO | 9 |
| 4zow_ligand_3_1.mol2 | 4zow | 1 | -5.91 | C(Cl)(Cl)C(=O)NCCO | 9 |
| 1ct8_ligand_3_145.mol2 | 1ct8 | 1 | -5.63 | C(NC(=O)C(Cl)Cl)CO | 9 |
| 1ct8_ligand_4_226.mol2 | 1ct8 | 1 | -5.56 | C(CO)NC(=O)C(Cl)Cl | 9 |
| 1ct8_ligand_4_295.mol2 | 1ct8 | 0.928571 | -5.91 | [C@@H](CO)(C)NC(=O)C(Cl)Cl | 10 |
| 4djo_ligand_3_454.mol2 | 4djo | 0.730769 | -6.10 | C(Cl)(Cl)C(=O)NCC | 8 |
| 1ct8_ligand_3_131.mol2 | 1ct8 | 0.730769 | -5.82 | CCNC(=O)C(Cl)Cl | 8 |
| 1a7c_ligand_3_357.mol2 | 1a7c | 0.653846 | -6.06 | C(CO)NC(=O)C | 7 |
250 ,
26
