Common name
2,4-dimethylphenol
IUPAC name
2,4-dimethylphenol
SMILES
c1c(c(cc(c1)C)C)O
Common name
2,4-dimethylphenol
IUPAC name
2,4-dimethylphenol
SMILES
c1c(c(cc(c1)C)C)O
INCHI
InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3
FORMULA
C8H10O
Common name
2,4-dimethylphenol
IUPAC name
2,4-dimethylphenol
Molecular weight
122.164
clogP
2.294
clogS
-2.096
Frequency
0.0007
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 |
|---|---|---|---|---|
| FDBD00790 | Oxymetazoline |
|
Sympathomimetics; Adrenergic alpha-Agonists; Nasal Decongestants; Respiratory System; Ophthalmologicals; Sensory Organs; Nasal Preparations; Sympathomimetics, Plain; Sympathomimetics Used as Decongestants; Decongestants and Antiallergics; Alpha2 Agonists; | For treatment of nasal congestion and redness associated with minor irritations of the eye. |
| FDBD00889 | Tolterodine |
|
Muscarinic Antagonists; Anti-Incontinence Agents; Antispasmodics; Muscle Relaxants, Genitourinary; Genito Urinary System and Sex Hormones; Drugs for Urinary Frequency and Incontinence; Cytochrome P-450 CYP2C9 Inhibitors; Urological Agents; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of overactive bladder (with symptoms of urinary frequency, urgency, or urge incontinence). |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4k5y_ligand_1_3.mol2 | 4k5y | 1 | -7.19 | c1(c(cc(cc1C)C)C)O | 10 |
| 1q4x_ligand_2_5.mol2 | 1q4x | 1 | -7.02 | c1(cc(ccc1O)C)C | 9 |
| 4fhh_ligand_2_0.mol2 | 4fhh | 1 | -6.99 | Oc1ccc(cc1C)C | 9 |
| 4fhi_ligand_2_0.mol2 | 4fhi | 1 | -6.97 | Oc1ccc(C)cc1C | 9 |
| 4fhh_ligand_2_21.mol2 | 4fhh | 1 | -6.83 | Oc1c(cc(cc1)C)C | 9 |
| 4fhi_ligand_2_21.mol2 | 4fhi | 1 | -6.80 | c1(cc(c(cc1)O)C)C | 9 |
343 ,
35
