Common name
2-methylhexane
IUPAC name
2-methylhexane
SMILES
C(C)(C)CCCC
Common name
2-methylhexane
IUPAC name
2-methylhexane
SMILES
C(C)(C)CCCC
INCHI
InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3
FORMULA
C7H16
Common name
2-methylhexane
IUPAC name
2-methylhexane
Molecular weight
100.202
clogP
2.052
clogS
-2.225
Frequency
0.0010
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 |
|---|---|---|---|---|
| FDBD00359 | Nabilone |
|
Alimentary Tract and Metabolism; Antiemetics and Antinauseants; | Used for the control of nausea and vomiting, caused by chemotherapeutic agents used in the treatment of cancer, in patients who have failed to respond adequately to conventional antiemetic treatments. |
| FDBD01594 | Gemeprost |
|
Prostaglandins; Genito Urinary System and Sex Hormones; Uterotonics; | |
| FDBD01741 | Limaprost |
|
; | Limaprost is used for the improvement of various ischemic symptoms such as ulcer, pain and feeling of coldness associated with thromboangiitis obliterans as well as improvement of subjective symptoms (pain and numbness of lower legs) and gait ability associated with acquired lumbar spinal canal stenosis (in patients with bilateral intermittent claudication showing normal SLR test result). |
3 ,
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
