Common name
(E)-hept-3-ene
IUPAC name
(E)-hept-3-ene
SMILES
C(C=CCCC)C
Common name
(E)-hept-3-ene
IUPAC name
(E)-hept-3-ene
SMILES
C(C=CCCC)C
INCHI
InChI=1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5+
FORMULA
C7H14
Common name
(E)-hept-3-ene
IUPAC name
(E)-hept-3-ene
Molecular weight
98.186
clogP
2.043
clogS
-1.876
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 |
|---|---|---|---|---|
| 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. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5d1r_ligand_6_203.mol2 | 5d1r | 1 | -6.82 | C(=C\CCC)/CC | 7 |
| 1gni_ligand_5_1750.mol2 | 1gni | 1 | -6.78 | CC/C=C\CCC | 7 |
| 4wn5_ligand_5_4636.mol2 | 4wn5 | 1 | -6.78 | C(/C=C\CCC)C | 7 |
| 1gnj_ligand_4_700.mol2 | 1gnj | 1 | -6.76 | CCC/C=C\CC | 7 |
| 4wn5_ligand_5_5461.mol2 | 4wn5 | 1 | -6.75 | C(/C=C\CC)CC | 7 |
| 1gni_ligand_5_1876.mol2 | 1gni | 1 | -6.74 | C(C/C=C\CC)C | 7 |
| 1gnj_ligand_4_220.mol2 | 1gnj | 1 | -6.66 | C(CC)/C=C\CC | 7 |
130 ,
14
