16P
  Mrv0541 02241213022D          

 20 19  0  0  0  0            999 V2000
   -6.7880   -0.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0735    0.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3589   -0.2068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6444    0.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9299   -0.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2153    0.2057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5008   -0.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7863    0.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0718   -0.2068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0718    0.2057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7863   -0.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5008    0.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2153   -0.2068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9299    0.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6444   -0.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3589    0.2057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0735   -0.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7880    0.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <DATABASE_ID>
DB06867

> <DATABASE_NAME>
drugbank

> <SMILES>
CCOCCOCCOCCOCCOCCOCC

> <INCHI_IDENTIFIER>
InChI=1S/C14H30O6/c1-3-15-5-7-17-9-11-19-13-14-20-12-10-18-8-6-16-4-2/h3-14H2,1-2H3

> <INCHI_KEY>
IXFAFGFZFQHRLB-UHFFFAOYSA-N

> <FORMULA>
C14H30O6

> <MOLECULAR_WEIGHT>
294.3844

> <EXACT_MASS>
294.204238692

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
7.70190507240685e-11

> <JCHEM_AVERAGE_POLARIZABILITY>
35.86767464087332

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3,6,9,12,15,18-hexaoxaicosane

> <ALOGPS_LOGP>
0.48

> <JCHEM_LOGP>
0.603287802666665

> <ALOGPS_LOGS>
-2.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.370558693805447

> <JCHEM_POLAR_SURFACE_AREA>
55.38000000000001

> <JCHEM_REFRACTIVITY>
77.72720000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.20e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB06867

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
3,6,9,12,15,18-HEXAOXAICOSANE

$$$$