Common name
1-chloro-4-isopropoxy-benzene
IUPAC name
1-chloro-4-isopropoxy-benzene
SMILES
O(c1ccc(cc1)Cl)C(C)C
Common name
1-chloro-4-isopropoxy-benzene
IUPAC name
1-chloro-4-isopropoxy-benzene
SMILES
O(c1ccc(cc1)Cl)C(C)C
INCHI
InChI=1S/C9H11ClO/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7H,1-2H3
FORMULA
C9H11ClO
Common name
1-chloro-4-isopropoxy-benzene
IUPAC name
1-chloro-4-isopropoxy-benzene
Molecular weight
170.636
clogP
2.954
clogS
-2.965
Frequency
0.0010
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00501 | Clofibrate |
|
Anticholesteremic Agents; Hypolipidemic Agents; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Fibrates; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2B6 Inhibitors (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For Primary Dysbetalipoproteinemia (Type III hyperlipidemia) that does not respond adequately to diet. This helps control high cholesterol and high triglyceride levels. |
| FDBD01607 | Etofibrate |
|
Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Fibrates; | |
| FDBD02506 | profoxydim |
|
Herbicide | Herbicide |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dt6_ligand_3_55.mol2 | 4dt6 | 0.967742 | -7.20 | O(c1ccc(Cl)cc1)CC | 10 |
| 4dum_ligand_3_3.mol2 | 4dum | 0.967742 | -7.12 | CCOc1ccc(Cl)cc1 | 10 |
| 4o12_ligand_3_0.mol2 | 4o12 | 0.967742 | -6.57 | O(c1ccc(cc1)Cl)CC | 10 |
| 4dt6_ligand_2_25.mol2 | 4dt6 | 0.83871 | -6.91 | O(c1ccc(Cl)cc1)C | 9 |
| 3drp_ligand_2_7.mol2 | 3drp | 0.83871 | -6.89 | O(c1ccc(Cl)cc1)C | 9 |
| 3c6u_ligand_2_5.mol2 | 3c6u | 0.83871 | -6.86 | COc1ccc(cc1)Cl | 9 |
| 4dum_ligand_2_4.mol2 | 4dum | 0.83871 | -6.82 | O(c1ccc(Cl)cc1)C | 9 |
| 4wk7_ligand_2_8.mol2 | 4wk7 | 0.83871 | -6.82 | c1cc(ccc1OC)Cl | 9 |
| 3drs_ligand_2_12.mol2 | 3drs | 0.83871 | -6.79 | O(C)c1ccc(Cl)cc1 | 9 |
| 3drr_ligand_2_7.mol2 | 3drr | 0.83871 | -6.78 | COc1ccc(Cl)cc1 | 9 |
102 ,
11
