Common name
(E)-hept-2-ene
IUPAC name
(E)-hept-2-ene
SMILES
C(C=CC)CCC
Common name
(E)-hept-2-ene
IUPAC name
(E)-hept-2-ene
SMILES
C(C=CC)CCC
INCHI
InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3+
FORMULA
C7H14
Common name
(E)-hept-2-ene
IUPAC name
(E)-hept-2-ene
Molecular weight
98.186
clogP
2.043
clogS
-1.876
Frequency
0.0010
HBond Acceptor
0
HBond Donor
0
Total Polar
Surface 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. |
| FDBD01664 | Idebenone |
|
Nervous System; Psychoanaleptics; Psychostimulants, Agents Used for Adhd and Nootropics; |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4u82_ligand_5_1266.mol2 | 4u82 | 1 | -7.43 | C(=C(C)C)CCC(C)C | 9 |
| 4u82_ligand_4_700.mol2 | 4u82 | 1 | -7.14 | C(=C(C)C)CCCC | 8 |
| 2q80_ligand_3_0.mol2 | 2q80 | 1 | -7.13 | C(C(C)C)CC=C(C)C | 9 |
| 4u82_ligand_5_1035.mol2 | 4u82 | 1 | -7.09 | CC(=CCCC(C)C)C | 9 |
| 3dst_ligand_3_0.mol2 | 3dst | 1 | -7.08 | C(=CCCC(C)C)(C)C | 9 |
| 3dsu_ligand_3_155.mol2 | 3dsu | 1 | -7.08 | C(=C(C)C)CCC(C)C | 9 |
| 4ea1_ligand_3_7.mol2 | 4ea1 | 1 | -7.05 | C(C(C)C)CC=C(C)C | 9 |
| 1d8e_ligand_3_0.mol2 | 1d8e | 1 | -6.99 | C(C(C)C)CC=C(C)C | 9 |
106 ,
11
