Common name
(E)-3-methylpent-2-ene
IUPAC name
(E)-3-methylpent-2-ene
SMILES
CC=C(C)CC
Common name
(E)-3-methylpent-2-ene
IUPAC name
(E)-3-methylpent-2-ene
SMILES
CC=C(C)CC
INCHI
InChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3/b6-4+
FORMULA
C6H12
Common name
(E)-3-methylpent-2-ene
IUPAC name
(E)-3-methylpent-2-ene
Molecular weight
84.159
clogP
1.446
clogS
-1.426
Frequency
0.0014
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00553 | Mycophenolate mofetil |
|
Immunosuppressive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | For the prophylaxis of organ rejection in patients receiving allogeneic renal, cardiac or hepatic transplants. Mycophenolate mofetil should be used concomitantly with cyclosporine and corticosteroids. |
| 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. |
| FDBD01993 | juvenile hormone II |
|
Insecticide | Insecticide |
| FDBD01994 | juvenile hormone III |
|
Insecticide | Insecticide |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4u82_ligand_4_645.mol2 | 4u82 | 1 | -6.53 | CC/C(=C/C)/C | 6 |
| 1fbm_ligand_1_1.mol2 | 1fbm | 1 | -6.46 | CC/C(=C/C)/C | 6 |
| 2q80_ligand_3_78.mol2 | 2q80 | 1 | -6.42 | C(/C(=C/C)/C)C | 6 |
| 3cke_ligand_3_266.mol2 | 3cke | 1 | -6.31 | C/C=C(\C)/CC | 6 |
| 2q80_ligand_3_244.mol2 | 2q80 | 1 | -6.27 | C/C=C(\C)/CC | 6 |
| 4tq3_ligand_3_26.mol2 | 4tq3 | 1 | -6.26 | C/C=C(\C)/CC | 6 |
| 3dsu_ligand_3_145.mol2 | 3dsu | 1 | -6.25 | C(=C(\C)/CC)\C | 6 |
183 ,
19
