Common name
3-methylpentane
IUPAC name
3-methylpentane
SMILES
CCC(C)CC
Common name
3-methylpentane
IUPAC name
3-methylpentane
SMILES
CCC(C)CC
INCHI
InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3
FORMULA
C6H14
Common name
3-methylpentane
IUPAC name
3-methylpentane
Molecular weight
86.175
clogP
1.609
clogS
-1.794
Frequency
0.0024
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
2
| 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. |
| FDBD00876 | Phylloquinone |
|
Vitamins; Antifibrinolytic Agents; Vitamin K; Blood and Blood Forming Organs; Antihemorrhagics; | For the treatment of haemorrhagic conditions in infants, antidote for coumarin anticoagulants in hypoprothrombinaemia. |
| FDBD01424 | Peramivir |
|
Antiviral Agents; Enzyme Inhibitors; | Investigated for use/treatment in influenza. |
| FDBD01593 | Hexetidine |
|
Antifungal Agents; Anti-Infective Agents, Local; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Stomatological Preparations; Gynecological Antiinfectives and Antiseptics; Antiinfectives and Antiseptics for Local Oral Treatment; | |
| FDBD01985 | epofenonane |
|
Insecticide | Insecticide |
| FDBD02372 | isoxaben |
|
Herbicide | Herbicide |
| FDBD02596 | EBEP |
|
Herbicide | Herbicide |
7 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mga_ligand_2_0.mol2 | 4mga | 1 | -6.98 | C(C(C)(C)C)C(C)C | 8 |
| 1ikt_ligand_2_0.mol2 | 1ikt | 1 | -6.97 | C(C)(C)CC(C)(C)C | 8 |
| 2yiu_ligand_4_296.mol2 | 2yiu | 1 | -6.87 | C(C)(C)CC(C)C | 7 |
| 3hy5_ligand_3_31.mol2 | 3hy5 | 1 | -6.74 | CC(C)CCC | 6 |
| 1gt3_ligand_3_0.mol2 | 1gt3 | 1 | -6.73 | CCC(C)CC | 6 |
| 4u82_ligand_4_680.mol2 | 4u82 | 1 | -6.69 | CCCC(C)C | 6 |
| 5d1r_ligand_3_64.mol2 | 5d1r | 1 | -6.67 | CCCCC | 5 |
| 2igx_ligand_3_100.mol2 | 2igx | 1 | -6.63 | CCCCC | 5 |
| 2yiu_ligand_3_130.mol2 | 2yiu | 1 | -6.61 | C(C)(C)CCC | 6 |
| 2vcg_ligand_4_205.mol2 | 2vcg | 1 | -6.59 | C(C)CCC | 5 |
1224 ,
123
