Common name
2-methoxy-4-methyl-phenol
IUPAC name
2-methoxy-4-methyl-phenol
SMILES
O(C)c1cc(ccc1O)C
Common name
2-methoxy-4-methyl-phenol
IUPAC name
2-methoxy-4-methyl-phenol
SMILES
O(C)c1cc(ccc1O)C
INCHI
InChI=1S/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H3
FORMULA
C8H10O2
Common name
2-methoxy-4-methyl-phenol
IUPAC name
2-methoxy-4-methyl-phenol
Molecular weight
138.164
clogP
1.803
clogS
-1.854
Frequency
0.0014
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
29.46
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01475 | Capsaicin |
|
Anesthetics, Local; Antipruritics; Anesthetics; Sensory System Agents; Musculo-Skeletal System; Nervous System; Topical Products for Joint and Muscular Pain; Capsaicin and Similar Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | The capsaicin 8% patch is indicated in the treatment of neuropathic pain associated with post-herpetic neuralgia. There are multiple topical capsaicin formulations available, including creams and solutions, indicated for temporary analgesia in muscle and join pain as well as neuropathic pain. |
| FDBD01669 | Eugenol |
|
Anti-Infective Agents; Solvents; | |
| FDBD01692 | Zucapsaicin |
|
Musculo-Skeletal System; Topical Products for Joint and Muscular Pain; Capsaicin and Similar Agents; | |
| FDBD02911 | mandipropamid |
|
Fungicide | Fungicide |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1pro_ligand_2_42.mol2 | 1pro | 1 | -6.53 | O(C)c1cc(C)ccc1O | 10 |
| 4qkx_ligand_3_74.mol2 | 4qkx | 1 | -6.52 | Cc1cc(c(cc1)O)OC | 10 |
| 1pro_ligand_2_35.mol2 | 1pro | 1 | -6.48 | c1(ccc(c(c1)OC)O)C | 10 |
| 1w0y_ligand_3_45.mol2 | 1w0y | 1 | -6.00 | c1(ccc(c(c1)OC)O)C | 10 |
| 1w7x_ligand_3_104.mol2 | 1w7x | 1 | -5.81 | Oc1c(OC)cc(C)cc1 | 10 |
| 1xdg_ligand_2_0.mol2 | 1xdg | 1 | -5.40 | COc1c(ccc(c1)C)O | 10 |
190 ,
20
