Common name
(3R)-3-methylhexane
IUPAC name
(3R)-3-methylhexane
SMILES
C(C)CC(C)CC
Common name
(3R)-3-methylhexane
IUPAC name
(3R)-3-methylhexane
SMILES
C(C)CC(C)CC
INCHI
InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3/t7-/m1/s1
FORMULA
C7H16
Common name
(3R)-3-methylhexane
IUPAC name
(3R)-3-methylhexane
Molecular weight
100.202
clogP
2.052
clogS
-2.225
Frequency
0.0007
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
3
| 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. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2yiu_ligand_5_407.mol2 | 2yiu | 1 | -7.08 | CC[C@H](C)CC(C)C | 8 |
| 5d1r_ligand_4_140.mol2 | 5d1r | 1 | -6.90 | C(C)CCCC | 6 |
| 2yiu_ligand_4_260.mol2 | 2yiu | 1 | -6.83 | CC[C@H](C)CCC | 7 |
| 4m1j_ligand_5_736.mol2 | 4m1j | 1 | -6.79 | CCCCCC | 6 |
| 4m1j_ligand_5_771.mol2 | 4m1j | 1 | -6.79 | CCCCCC | 6 |
| 2vcg_ligand_5_246.mol2 | 2vcg | 1 | -6.78 | C(C)CCCC | 6 |
| 1gt4_ligand_4_0.mol2 | 1gt4 | 1 | -6.77 | CCCCCC | 6 |
725 ,
73
