Common name
isopropoxybenzene
IUPAC name
isopropoxybenzene
SMILES
c1(ccccc1)OC(C)C
Common name
isopropoxybenzene
IUPAC name
isopropoxybenzene
SMILES
c1(ccccc1)OC(C)C
INCHI
InChI=1S/C9H12O/c1-8(2)10-9-6-4-3-5-7-9/h3-8H,1-2H3
FORMULA
C9H12O
Common name
isopropoxybenzene
IUPAC name
isopropoxybenzene
Molecular weight
136.191
clogP
2.329
clogS
-2.172
Frequency
0.0007
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 |
|---|---|---|---|---|
| FDBD00891 | Fenofibrate |
|
Anticholesteremic Agents; Hypolipidemic Agents; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Fibrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | For use as adjunctive therapy to diet to reduce elevated LDL-C, Total-C,Triglycerides and Apo B, and to increase HDL-C in adult patients with primary hypercholesterolemia or mixed dyslipidemia (Fredrickson Types IIa and IIb). |
| FDBD01909 | propoxur |
|
Insecticide | Insecticide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4h5c_ligand_2_20.mol2 | 4h5c | 1 | -7.39 | c1ccc(cc1)OC(C)C | 10 |
| 4h5d_ligand_2_20.mol2 | 4h5d | 1 | -7.35 | C(C)(C)Oc1ccccc1 | 10 |
| 4dem_ligand_2_20.mol2 | 4dem | 1 | -7.33 | O(C(C)C)c1ccccc1 | 10 |
| 4dtk_ligand_2_3.mol2 | 4dtk | 1 | -6.86 | C(C)(C)Oc1ccccc1 | 10 |
| 4fm8_ligand_2_9.mol2 | 4fm8 | 1 | -6.72 | c1cc(ccc1)OC(C)C | 10 |
| 4zpe_ligand_2_20.mol2 | 4zpe | 1 | -6.70 | C(C)(C)Oc1ccccc1 | 10 |
| 5e8r_ligand_2_20.mol2 | 5e8r | 1 | -6.56 | c1ccccc1OC(C)C | 10 |
| 4yl1_ligand_2_0.mol2 | 4yl1 | 1 | -6.35 | O(c1ccccc1)C(C)C | 10 |
| 1ttv_ligand_2_13.mol2 | 1ttv | 1 | -6.33 | C(C)(C)Oc1ccccc1 | 10 |
| 4hg7_ligand_2_5.mol2 | 4hg7 | 1 | -6.27 | O(C(C)C)c1ccccc1 | 10 |
168 ,
17
