Common name
2,3-dichlorophenol
IUPAC name
2,3-dichlorophenol
SMILES
Clc1cccc(c1Cl)O
Common name
2,3-dichlorophenol
IUPAC name
2,3-dichlorophenol
SMILES
Clc1cccc(c1Cl)O
INCHI
InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
FORMULA
C6H4Cl2O
Common name
2,3-dichlorophenol
IUPAC name
2,3-dichlorophenol
Molecular weight
163.001
clogP
2.666
clogS
-2.590
Frequency
0.0007
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00760 | Ethacrynic acid |
|
Enzyme Inhibitors; Diuretics; Cardiovascular System; High-Ceiling Diuretics; Aryloxyacetic Acid Derivatives; | For the treatment of high blood pressure and edema caused by diseases like congestive heart failure, liver failure, and kidney failure. |
| FDBD02928 | fenhexamid |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gsf_ligand_1_0.mol2 | 1gsf | 1 | -6.79 | Oc1c(Cl)c(Cl)ccc1 | 9 |
| 1py2_ligand_1_8.mol2 | 1py2 | 1 | -6.49 | c1ccc(c(c1Cl)Cl)O | 9 |
| 2gss_ligand_1_0.mol2 | 2gss | 1 | -6.31 | Oc1c(Cl)c(Cl)ccc1 | 9 |
| 11gs_ligand_1_8.mol2 | 11gs | 1 | -6.21 | c1(cccc(c1Cl)Cl)O | 9 |
| 3hjo_ligand_1_0.mol2 | 3hjo | 1 | -6.17 | c1(c(Cl)c(Cl)ccc1)O | 9 |
| 3dgq_ligand_1_0.mol2 | 3dgq | 1 | -5.96 | Oc1c(Cl)c(Cl)ccc1 | 9 |
| 3gss_ligand_1_8.mol2 | 3gss | 1 | -5.92 | c1(c(Cl)c(Cl)ccc1)O | 9 |
| 4bqg_ligand_1_0.mol2 | 4bqg | 0.916667 | -6.87 | Oc1ccc(c(c1)Cl)Cl | 9 |
116 ,
12
