PG6
  Mrv0541 02231216182D          

 18 17  0  0  0  0            999 V2000
   -6.0735   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3590    0.2571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6444   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9299    0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2153   -0.1554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5009    0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7863   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0718    0.2571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0718   -0.1554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7863    0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5008   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2153    0.2571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9299   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6443    0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3589   -0.1554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0735    0.2571    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
M  END
> <DATABASE_ID>
DB02580

> <DATABASE_NAME>
drugbank

> <SMILES>
COCCOCCOCCOCCOCCOC

> <INCHI_IDENTIFIER>
InChI=1S/C12H26O6/c1-13-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14-2/h3-12H2,1-2H3

> <INCHI_KEY>
DMDPGPKXQDIQQG-UHFFFAOYSA-N

> <FORMULA>
C12H26O6

> <MOLECULAR_WEIGHT>
266.3312

> <EXACT_MASS>
266.172938564

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
7.82527503166112e-11

> <JCHEM_AVERAGE_POLARIZABILITY>
31.57076844021627

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,5,8,11,14,17-hexaoxaoctadecane

> <ALOGPS_LOGP>
-0.12

> <JCHEM_LOGP>
-0.11032810666666658

> <ALOGPS_LOGS>
-2.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3636221017871124

> <JCHEM_POLAR_SURFACE_AREA>
55.38000000000001

> <JCHEM_REFRACTIVITY>
68.23000000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.13e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB02580

> <SECONDARY_ACCESSION_NUMBERS>
EXPT02566

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Pentaglyme

> <SYNONYMS>
pentaethyleneglycol dimethyl ether

$$$$