Common name
m-cresol
IUPAC name
m-cresol
SMILES
Oc1cc(ccc1)C
Common name
m-cresol
IUPAC name
m-cresol
SMILES
Oc1cc(ccc1)C
INCHI
InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
FORMULA
C7H8O
Common name
m-cresol
IUPAC name
m-cresol
Molecular weight
108.138
clogP
1.874
clogS
-1.538
Frequency
0.0069
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 |
|---|---|---|---|---|
| FDBD01120 | Bevantolol |
|
Adrenergic beta-1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; Beta Blocking Agents, Selective, and Thiazides; Beta Blocking Agents and Thiazides; | For the treatment of angina pectoris and hypertension. |
| FDBD01286 | Thymol |
|
Antifungal Agents; Anti-Infective Agents; Anti-Infective Agents, Local; Ectoparasiticides for Topical Use, Incl. Insecticides; Ectoparaciticides, Insecticides and Repellents; Antiparasitic Products, Insecticides and Repellents; | |
| FDBD01371 | Apremilast |
|
Anti-Inflammatory Agents, Non-Steroidal; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Selective Immunosuppressants; CYP3A4 Inhibitors; | Investigated for use/treatment in psoriasis and psoriatic disorders. |
| FDBD01384 | Tapentadol |
|
Analgesics; Nervous System; Opioids; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | The immediate-release formulation of tapentadol is indicated for the relief of moderate to severe acute pain. The long-acting formulation serves as a continuous, around-the-clock analgesic that is indicated for the relief of moderate to severe chronic pain or neuropathic pain associated with diabetic peripheral neuropathy. |
| FDBD01521 | Tymazoline |
|
Respiratory System; Nasal Preparations; Sympathomimetics, Plain; | For the treatment of Inflammation of the lining of the nose and paranasal sinuses and allergic inflammation of nasopharyngeal. |
| FDBD01523 | Roxatidine acetate |
|
Anti-Ulcer Agents; Alimentary Tract and Metabolism; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; H2 Antagonists; | For the treatment of disorders of the upper gastro-intestinal region that are due to an excess of hydrochloric acid in the gastric juice, i.e. duodenal ulcers, benign gastric ulcers. Also for prophylaxis of recurrent gastric and duodenal ulcers. |
| FDBD01633 | Aliskiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; CYP3A4 Inhibitors; | For the treatment of hypertension, to lower blood pressure. |
| FDBD02179 | fenthion |
|
Insecticide | Insecticide |
| FDBD02180 | fenthion-ethyl |
|
Insecticide | Insecticide |
| FDBD02183 | mesulfenfos |
|
Insecticide | Insecticide |
20 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hfz_ligand_1_1.mol2 | 3hfz | 1 | -7.03 | Cc1cccc(c1)O | 8 |
| 3mrv_ligand_1_4.mol2 | 3mrv | 1 | -7.01 | Cc1cc(ccc1)O | 8 |
| 3hfv_ligand_1_1.mol2 | 3hfv | 1 | -7.00 | Cc1cccc(c1)O | 8 |
| 4fnz_ligand_2_52.mol2 | 4fnz | 1 | -6.97 | Oc1cc(C)ccc1 | 8 |
| 2b5j_ligand_2_5.mol2 | 2b5j | 1 | -6.93 | Oc1cccc(c1)C | 8 |
| 2bdj_ligand_1_5.mol2 | 2bdj | 1 | -6.93 | c1(cccc(c1)O)C | 8 |
| 4v24_ligand_1_3.mol2 | 4v24 | 1 | -6.85 | c1cc(cc(c1)O)C | 8 |
| 3hy9_ligand_1_4.mol2 | 3hy9 | 1 | -6.83 | c1(cccc(c1)O)C | 8 |
| 4bbg_ligand_1_4.mol2 | 4bbg | 1 | -6.82 | Cc1cccc(c1)O | 8 |
| 4h38_ligand_2_30.mol2 | 4h38 | 1 | -6.79 | Oc1cc(ccc1)C | 8 |
102 ,
11
