Common name
(E)-4-methylpent-2-ene
IUPAC name
(E)-4-methylpent-2-ene
SMILES
C(=CC(C)C)C
Common name
(E)-4-methylpent-2-ene
IUPAC name
(E)-4-methylpent-2-ene
SMILES
C(=CC(C)C)C
INCHI
InChI=1S/C6H12/c1-4-5-6(2)3/h4-6H,1-3H3/b5-4+
FORMULA
C6H12
Common name
(E)-4-methylpent-2-ene
IUPAC name
(E)-4-methylpent-2-ene
Molecular weight
84.159
clogP
1.429
clogS
-1.070
Frequency
0.0007
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00053 | Vitamin E |
|
Antioxidants; Vitamins; Dietary Supplements; Micronutrients; Supplements; | Vitamin E, known for its antioxidant activities, is protective against cardiovascular disease and some forms of cancer and has also demonstrated immune-enhancing effects. It may be of limited benefit in some with asthma and rheumatoid arthritis. It may be helpful in some neurological diseases including Alzheimer's, some eye disorders including cataracts, and diabetes and premenstrual syndrome. It may also help protect skin from ultraviolet irradiation although claims that it reverses skin aging, enhances male fertility and exercise performance are poorly supported. It may help relieve some muscle cramps. |
| 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. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4u82_ligand_3_276.mol2 | 4u82 | 1 | -6.70 | CCC=C(C)C | 6 |
| 4tq3_ligand_2_22.mol2 | 4tq3 | 1 | -6.64 | CCC=C(C)C | 6 |
| 3dst_ligand_2_0.mol2 | 3dst | 1 | -6.55 | C(=CCC)(C)C | 6 |
| 3dsu_ligand_2_49.mol2 | 3dsu | 1 | -6.54 | C(=C(C)C)CC | 6 |
| 3dzt_ligand_3_399.mol2 | 3dzt | 1 | -6.50 | CC/C=C\C | 5 |
| 4ea2_ligand_2_1.mol2 | 4ea2 | 1 | -6.49 | CCC=C(C)C | 6 |
| 4prg_ligand_3_460.mol2 | 4prg | 1 | -6.49 | CC/C=C/C | 5 |
147 ,
15
