Mrv0541 07221312512D          

 10 10  0  0  0  0            999 V2000
   -0.9723    0.7661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6868    0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6868   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9723   -0.8839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2579   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2579    0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9723   -1.7089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2579   -2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2579   -2.9464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4566   -3.3589    0.0000 O   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
  1  6  1  0  0  0  0
  4  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
M  END
> <DATABASE_ID>
DBMET00920

> <DATABASE_NAME>
drugbank

> <SMILES>
OCCON1CCOCC1

> <INCHI_IDENTIFIER>
InChI=1S/C6H13NO3/c8-3-6-10-7-1-4-9-5-2-7/h8H,1-6H2

> <INCHI_KEY>
WTPGFRPRHSDKNE-UHFFFAOYSA-N

> <FORMULA>
C6H13NO3

> <MOLECULAR_WEIGHT>
147.1723

> <EXACT_MASS>
147.089543287

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
1.8029054057990754e-07

> <JCHEM_AVERAGE_POLARIZABILITY>
15.363017465017174

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(morpholin-4-yloxy)ethan-1-ol

> <ALOGPS_LOGP>
-0.66

> <JCHEM_LOGP>
-1.1053679706666673

> <ALOGPS_LOGS>
0.78

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.05196133872306

> <JCHEM_PKA_STRONGEST_BASIC>
0.2767270829934352

> <JCHEM_POLAR_SURFACE_AREA>
41.93000000000001

> <JCHEM_REFRACTIVITY>
36.3071

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.83e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBMET00920

> <NAME>
N-(2-hydroxyethyl)-morpholine N-oxide

$$$$