8925
  -OEChem-03231814083D

 37 36  0     0  0  0  0  0  0999 V2000
    0.1182   -0.6238   -0.1031 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7164   -0.2587    0.2378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    0.2624    0.1495 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1931    0.8623   -0.4275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9912   -0.0759   -0.2453 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3390    0.0095    0.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0041    0.1861    0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4961   -0.8998   -0.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2714   -0.5395   -0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390   -1.0783   -0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6143   -0.3606   -0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1074   -0.3429    0.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7724    0.5385    0.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3554    1.6056   -0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1155    0.7152    0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375    0.9681   -0.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3529    0.2156    1.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0246    0.3940    1.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9399    1.1479   -0.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4738   -1.1178   -1.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4036   -1.8529    0.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3300   -1.5075    0.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2570   -0.7343   -1.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7714   -2.0217    0.4883 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8460   -1.2871   -1.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6259   -0.5375   -1.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7147   -1.3332    0.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9813   -0.9709    0.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0795   -0.0950    1.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6661    1.5161   -0.3306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7697    0.7037    1.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3722    2.5147   -0.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2582    1.0257   -0.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3330    1.8919    0.9682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0200    0.1992   -0.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0698    1.6919   -0.3781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1651    0.8412    1.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
M  END
> <DATABASE_ID>
DB14000

> <DATABASE_NAME>
drugbank

> <ORIGINAL_SOURCE>
PUBCHEM

> <ORIGINAL_SOURCE_URL>
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZUHZGEOKBKGPSW-UHFFFAOYSA-N/SDF?record_type=3d

> <SMILES>
COCCOCCOCCOCCOC

> <INCHI_IDENTIFIER>
InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3

> <INCHI_KEY>
ZUHZGEOKBKGPSW-UHFFFAOYSA-N

> <FORMULA>
C10H22O5

> <MOLECULAR_WEIGHT>
222.281

> <EXACT_MASS>
222.146723808

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
26.178672260450277

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,5,8,11,14-pentaoxapentadecane

> <ALOGPS_LOGP>
-0.12

> <JCHEM_LOGP>
-0.06335259833333345

> <ALOGPS_LOGS>
-1.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4402456646496753

> <JCHEM_POLAR_SURFACE_AREA>
46.150000000000006

> <JCHEM_REFRACTIVITY>
57.18650000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.88e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetraglyme

> <JCHEM_VEBER_RULE>
0

$$$$