PG5
  Mrv0541 02231215572D          

 12 11  0  0  0  0            999 V2000
   -3.8810   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1666    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4522   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7377    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0232   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3088    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4056   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1201    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8346   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5491    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2635   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9780    0.2062    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
M  END
> <DATABASE_ID>
DB02078

> <DATABASE_NAME>
drugbank

> <SMILES>
COCCOCCOCCOC

> <INCHI_IDENTIFIER>
InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3

> <INCHI_KEY>
YFNKIDBQEZZDLK-UHFFFAOYSA-N

> <FORMULA>
C8H18O4

> <MOLECULAR_WEIGHT>
178.2261

> <EXACT_MASS>
178.120509064

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
4.576522132733972e-11

> <JCHEM_AVERAGE_POLARIZABILITY>
20.81281451677207

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,5,8,11-tetraoxadodecane

> <ALOGPS_LOGP>
-0.09

> <JCHEM_LOGP>
-0.016377090000000608

> <ALOGPS_LOGS>
-1.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5333471759824544

> <JCHEM_POLAR_SURFACE_AREA>
36.92

> <JCHEM_REFRACTIVITY>
46.143

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.67e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB02078

> <SECONDARY_ACCESSION_NUMBERS>
EXPT02565

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Triglyme

> <SYNONYMS>
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane; 1,2-bis(2-methoxyethoxy)ethane; dimethyl ether of triethylene glycol; Glyme 4

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