Mrv1572010161515172D          

 17 18  0  0  0  0            999 V2000
   -2.5162    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5162    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8150    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0725    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0725    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8150   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3712   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3712    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0725   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3712    1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3712    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0725    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7737    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5162   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5162   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7737   -1.4437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0725   -1.0312    0.0000 C   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
M  END
> <DATABASE_ID>
DB09185

> <DATABASE_NAME>
drugbank

> <SMILES>
CCOC1=CC=CC=C1OCC1CNCCO1

> <INCHI_IDENTIFIER>
InChI=1S/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3

> <INCHI_KEY>
YWPHCCPCQOJSGZ-UHFFFAOYSA-N

> <FORMULA>
C13H19NO3

> <MOLECULAR_WEIGHT>
237.299

> <EXACT_MASS>
237.136493476

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
26.31962681486784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[(2-ethoxyphenoxy)methyl]morpholine

> <ALOGPS_LOGP>
1.71

> <JCHEM_LOGP>
1.4915744426666662

> <ALOGPS_LOGS>
-2.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.19456910713374

> <JCHEM_POLAR_SURFACE_AREA>
39.72

> <JCHEM_REFRACTIVITY>
65.2021

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.24e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
viloxazine

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB09185

> <DRUG_GROUPS>
approved; investigational; withdrawn

> <GENERIC_NAME>
Viloxazine

> <SYNONYMS>
2-((2-Ethoxyphenoxy)methyl)morpholine; Viloxazina; Viloxazine; Viloxazinum

> <PRODUCTS>
Qelbree

> <INTERNATIONAL_BRANDS>
Emovit

> <SALTS>
Viloxazine hydrochloride

$$$$