Common name
3-chlorophenol
IUPAC name
3-chlorophenol
SMILES
Clc1cc(ccc1)O
Common name
3-chlorophenol
IUPAC name
3-chlorophenol
SMILES
Clc1cc(ccc1)O
INCHI
InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H
FORMULA
C6H5ClO
Common name
3-chlorophenol
IUPAC name
3-chlorophenol
Molecular weight
128.556
clogP
2.061
clogS
-1.793
Frequency
0.0014
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 |
|---|---|---|---|---|
| FDBD01511 | Triclosan |
|
Anti-Infective Agents, Local; Fatty Acid Synthesis Inhibitors; Dermatologicals; Antiseptics and Disinfectants; Medicated Dressings With Antiinfectives; Medicated Dressings; Phenol and Derivatives; | Triclosan is used in a variety of common household products, including soaps, mouthwashes, dish detergents, toothpastes, deodorants, and hand sanitizers. It is also used in health care settings in surgical scrubs and personnel hand washes. |
| FDBD01661 | Lenvatinib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; CYP3A4 Inhibitors; | Lenvatinib is indicated for the treatment of patients with locally recurrent or metastatic, progressive, radioactive iodine-refractory differentiated thyroid cancer. |
| FDBD02631 | cloprop |
|
Herbicide | Herbicide |
| FDBD03052 | difenoconazole |
|
Fungicide | Fungicide |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1li3_ligand_frag_0.mol2 | 1li3 | 1 | -7.08 | c1c(cc(cc1)O)Cl | 8 |
| 1li3_ligand.mol2 | 1li3 | 1 | -7.08 | c1ccc(cc1Cl)O | 9 |
| 4hni_ligand_1_0.mol2 | 4hni | 1 | -6.96 | c1c(cccc1Cl)O | 8 |
| 3drs_ligand_1_1.mol2 | 3drs | 1 | -6.90 | Oc1cccc(c1)Cl | 8 |
| 4hnf_ligand_1_0.mol2 | 4hnf | 1 | -6.85 | c1c(cccc1Cl)O | 8 |
| 4h4m_ligand_1_2.mol2 | 4h4m | 1 | -6.83 | Oc1cc(ccc1)Cl | 8 |
| 3c6t_ligand_1_3.mol2 | 3c6t | 1 | -6.81 | Oc1cc(ccc1)Cl | 8 |
| 4h4m_ligand_1_1.mol2 | 4h4m | 1 | -6.79 | c1c(cccc1O)Cl | 8 |
| 3c6t_ligand_1_2.mol2 | 3c6t | 1 | -6.78 | c1(cc(ccc1)Cl)O | 8 |
118 ,
12
