Common name
2,5-dimethylphenol
IUPAC name
2,5-dimethylphenol
SMILES
c1(c(ccc(c1)C)C)O
Common name
2,5-dimethylphenol
IUPAC name
2,5-dimethylphenol
SMILES
c1(c(ccc(c1)C)C)O
INCHI
InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3
FORMULA
C8H10O
Common name
2,5-dimethylphenol
IUPAC name
2,5-dimethylphenol
Molecular weight
122.164
clogP
2.294
clogS
-2.096
Frequency
0.0010
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 |
|---|---|---|---|---|
| FDBD01085 | Gemfibrozil |
|
Hypolipidemic Agents; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Fibrates; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | For treatment of adult patients with very high elevations of serum triglyceride levels (types IV and V hyperlipidemia) who are at risk of developing pancreatitis (inflammation of the pancreas) and who do not respond adequately to a strict diet. |
| FDBD02903 | dimoxystrobin |
|
Fungicide | Fungicide |
| FDBD02910 | mandestrobin |
|
Fungicide | Fungicide |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5boj_ligand_1_4.mol2 | 5boj | 1 | -7.06 | Oc1cc(ccc1C)C | 9 |
| 3cbs_ligand_frag_0.mol2 | 3cbs | 0.916667 | -6.71 | c1(cc(cc(c1C)C)C)O | 10 |
| 3gz9_ligand_1_1.mol2 | 3gz9 | 0.913043 | -7.05 | Oc1cccc(c1C)C | 9 |
| 2bdy_ligand_1_2.mol2 | 2bdy | 0.913043 | -6.66 | Cc1c(cccc1C)O | 9 |
| 4o7b_ligand_1_0.mol2 | 4o7b | 0.913043 | -6.05 | Cc1c(c(ccc1)O)C | 9 |
| 3hfz_ligand_1_1.mol2 | 3hfz | 0.909091 | -7.03 | Cc1cccc(c1)O | 8 |
| 3mrv_ligand_1_4.mol2 | 3mrv | 0.909091 | -7.01 | Cc1cc(ccc1)O | 8 |
| 3hfv_ligand_1_1.mol2 | 3hfv | 0.909091 | -7.00 | Cc1cccc(c1)O | 8 |
| 4fnz_ligand_2_52.mol2 | 4fnz | 0.909091 | -6.97 | Oc1cc(C)ccc1 | 8 |
| 2b5j_ligand_2_5.mol2 | 2b5j | 0.909091 | -6.93 | Oc1cccc(c1)C | 8 |
127 ,
13
