FAR
  Mrv0541 02241213372D          

 15 14  0  0  0  0            999 V2000
    3.4869    1.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0744    1.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2494    1.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8369    0.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0119    0.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5994   -0.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2256   -0.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6381   -0.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4631   -0.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8756   -1.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7006   -1.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1131   -2.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1131   -0.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8369    1.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6381    0.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
> <DATABASE_ID>
DB07752

> <DATABASE_NAME>
drugbank

> <SMILES>
C\C=C(/C)CC\C=C(/C)CCC=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,7-8,10-11H2,1-5H3/b14-6+,15-12+

> <INCHI_KEY>
InChIKey=JXBSHSBNOVLGHF-BUJBXKITSA-N

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
27.81974409587776

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
206.203450832

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C15H26

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene

> <ALOGPS_LOGP>
6.08

> <JCHEM_LOGP>
5.442868727666665

> <ALOGPS_LOGS>
-3.97

> <JCHEM_MASS>
206.3669

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
73.21

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.19e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB07752

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
FARNESYL

$$$$