Mrv1909 05022221262D          

 18 19  0  0  0  0            999 V2000
   -2.5165    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5165    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8152    1.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0726    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0726    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8152   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3711   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3711    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0726   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3711    1.4439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3711    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0726    1.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7739    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5165   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5165   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7739   -1.4439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0726   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2327   -0.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 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
  9 17  1  0  0  0  0
  1 18  1  0  0  0  0
M  END
> <DATABASE_ID>
DBMET03493

> <DATABASE_NAME>
drugbank

> <SMILES>
CCOC1=CC=C(O)C=C1OCC1CNCCO1

> <INCHI_IDENTIFIER>
InChI=1S/C13H19NO4/c1-2-16-12-4-3-10(15)7-13(12)18-9-11-8-14-5-6-17-11/h3-4,7,11,14-15H,2,5-6,8-9H2,1H3

> <INCHI_KEY>
FEYUBZHHEOUPRV-UHFFFAOYSA-N

> <FORMULA>
C13H19NO4

> <MOLECULAR_WEIGHT>
253.298

> <EXACT_MASS>
253.131408096

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9376695675827647

> <JCHEM_AVERAGE_POLARIZABILITY>
27.327093926006896

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-ethoxy-3-[(morpholin-2-yl)methoxy]phenol

> <ALOGPS_LOGP>
0.93

> <JCHEM_LOGP>
1.0761101442832648

> <ALOGPS_LOGS>
-1.98

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.925287338181226

> <JCHEM_PKA_STRONGEST_BASIC>
8.186414133192722

> <JCHEM_POLAR_SURFACE_AREA>
59.95

> <JCHEM_REFRACTIVITY>
67.183

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.66e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-ethoxy-3-(morpholin-2-ylmethoxy)phenol

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBMET03493

> <NAME>
5-Hydroxyviloxazine

> <UNII>
3KT6SV7DTM

$$$$