Common name
(E)-3-methylhex-2-ene
IUPAC name
(E)-3-methylhex-2-ene
SMILES
CCCC(=CC)C
Common name
(E)-3-methylhex-2-ene
IUPAC name
(E)-3-methylhex-2-ene
SMILES
CCCC(=CC)C
INCHI
InChI=1S/C7H14/c1-4-6-7(3)5-2/h5H,4,6H2,1-3H3/b7-5+
FORMULA
C7H14
Common name
(E)-3-methylhex-2-ene
IUPAC name
(E)-3-methylhex-2-ene
Molecular weight
98.186
clogP
1.889
clogS
-1.859
Frequency
0.0003
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 |
|---|---|---|---|---|
| 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. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4u82_ligand_5_1231.mol2 | 4u82 | 1 | -6.76 | CCC/C(=C/C)/C | 7 |
| 1fbm_ligand_2_5.mol2 | 1fbm | 1 | -6.67 | C(C)C/C(=C/C)/C | 7 |
| 4u82_ligand_4_265.mol2 | 4u82 | 1 | -6.31 | CCC/C(=C/C)/C | 7 |
| 3eu5_ligand_3_290.mol2 | 3eu5 | 1 | -6.28 | C(CC)/C(=C/C)/C | 7 |
| 2z4w_ligand_3_111.mol2 | 2z4w | 1 | -6.17 | CCC/C(=C/C)/C | 7 |
| 2z4w_ligand_3_146.mol2 | 2z4w | 1 | -6.01 | CCC/C(=C/C)/C | 7 |
147 ,
15
