Common name
(E)-hex-2-ene
IUPAC name
(E)-hex-2-ene
SMILES
CC=CCCC
Common name
(E)-hex-2-ene
IUPAC name
(E)-hex-2-ene
SMILES
CC=CCCC
INCHI
InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
FORMULA
C6H12
Common name
(E)-hex-2-ene
IUPAC name
(E)-hex-2-ene
Molecular weight
84.159
clogP
1.600
clogS
-1.443
Frequency
0.0014
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 |
|---|---|---|---|---|
| FDBD00005 | Cyclosporine |
|
Antirheumatic Agents; Dermatologic Agents; Immunosuppressive Agents; Antifungal Agents; Enzyme Inhibitors; Antineoplastic and Immunomodulating Agents; Ophthalmologicals; Sensory Organs; Calcineurin Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; BSEP/ABCB11 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For treatment of transplant (kidney, liver, and heart) rejection, rheumatoid arthritis, severe psoriasis. |
| FDBD01305 | Oleic Acid |
|
; | |
| FDBD01431 | Ethanolamine Oleate |
|
Sclerosing Solutions; Cardiovascular System; Vasoprotectives; Sclerosing Agents for Local Injection; Antivaricose Therapy; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); | For the treatment of patients with esophageal varices that have recently bled, to prevent rebleeding. |
| FDBD01664 | Idebenone |
|
Nervous System; Psychoanaleptics; Psychostimulants, Agents Used for Adhd and Nootropics; |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3dzt_ligand_4_1239.mol2 | 3dzt | 1 | -6.71 | C(C)C/C=C\C | 6 |
| 5d1r_ligand_5_231.mol2 | 5d1r | 1 | -6.68 | C(=C\CCC)/C | 6 |
| 4prg_ligand_4_1665.mol2 | 4prg | 1 | -6.66 | C(C)C/C=C/C | 6 |
| 1gnj_ligand_3_202.mol2 | 1gnj | 1 | -6.62 | C/C=C\CCC | 6 |
| 1gnj_ligand_3_230.mol2 | 1gnj | 1 | -6.62 | CCC/C=C\C | 6 |
| 1gnj_ligand_3_251.mol2 | 1gnj | 1 | -6.59 | C/C=C\CCC | 6 |
136 ,
14
