Common name
4-tert-butylphenol
IUPAC name
4-tert-butylphenol
SMILES
CC(c1ccc(cc1)O)(C)C
Common name
4-tert-butylphenol
IUPAC name
4-tert-butylphenol
SMILES
CC(c1ccc(cc1)O)(C)C
INCHI
InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
FORMULA
C10H14O
Common name
4-tert-butylphenol
IUPAC name
4-tert-butylphenol
Molecular weight
150.218
clogP
2.500
clogS
-2.408
Frequency
0.0014
HBond Acceptor
1
HBond Donor
1
Total Polar
Surface Area
20.23
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01416 | Tyloxapol |
|
Surface-Active Agents; Expectorants; Detergents; Cough and Cold Preparations; Respiratory System; | Used as a surfactant to aid liquefaction and removal of mucopurulent (containing mucus and pus) bronchopulmonary secretions, administered by inhalation through a nebulizer or with a stream of oxygen. Also investigated for use/treatment in cystic fibrosis and pediatric indications. |
| FDBD01532 | Ivacaftor |
|
Respiratory System; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of cystic fibrosis (CF) in patients age 6 years and older who have a G551D mutation in the CFTR gene. |
| FDBD02304 | etofenprox |
|
Insecticide | Insecticide |
| FDBD02306 | halfenprox |
|
Insecticide | Insecticide |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mga_ligand_2_2.mol2 | 4mga | 1 | -7.76 | CC(c1ccc(cc1)O)(C)C | 11 |
| 2zas_ligand_1_0.mol2 | 2zas | 1 | -7.74 | c1(ccc(cc1)C(C)C)O | 10 |
| 2e2r_ligand_1_0.mol2 | 2e2r | 1 | -7.73 | C(C)(C)c1ccc(cc1)O | 10 |
| 2p7g_ligand_1_1.mol2 | 2p7g | 1 | -7.72 | C(C)(C)c1ccc(cc1)O | 10 |
| 2e2r_ligand_1_1.mol2 | 2e2r | 1 | -7.62 | c1(ccc(cc1)O)C(C)C | 10 |
| 2ra6_ligand.mol2 | 2ra6 | 1 | -7.57 | CCc1ccc(cc1)O | 10 |
| 1ikt_ligand_3_11.mol2 | 1ikt | 1 | -7.55 | Oc1ccc(cc1)C(C)(C)C | 11 |
| 4osf_ligand_2_0.mol2 | 4osf | 1 | -7.44 | c1(ccc(cc1)CC)O | 9 |
| 4mga_ligand_1_2.mol2 | 4mga | 1 | -7.37 | c1(ccc(cc1)O)C(C)C | 10 |
| 3ftu_ligand_2_0.mol2 | 3ftu | 1 | -7.36 | CCc1ccc(cc1)O | 9 |
132 ,
14
