Mrv1572010241500232D          

 15 16  0  0  0  0            999 V2000
   -0.3375    0.8240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0821    0.8191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7821    0.4120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3772   -0.4121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4820   -0.8191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0523   -0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0523    0.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3772    0.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -0.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0821   -0.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7672   -0.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7672    0.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7821   -0.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4820   -0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4820    0.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  8  2  0  0  0  0
  3 13  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
> <DATABASE_ID>
DB09254

> <DATABASE_NAME>
drugbank

> <SMILES>
NC(=O)CN1CC2=CC=CC=C2OC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H10N2O3/c11-9(13)6-12-5-7-3-1-2-4-8(7)15-10(12)14/h1-4H,5-6H2,(H2,11,13)

> <INCHI_KEY>
KYCBWEZLKCTALM-UHFFFAOYSA-N

> <FORMULA>
C10H10N2O3

> <MOLECULAR_WEIGHT>
206.201

> <EXACT_MASS>
206.06914219

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
19.900589984851365

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(2-oxo-3,4-dihydro-2H-1,3-benzoxazin-3-yl)acetamide

> <ALOGPS_LOGP>
-0.25

> <JCHEM_LOGP>
0.11658138399999991

> <ALOGPS_LOGS>
-1.24

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.423153738885823

> <JCHEM_PKA_STRONGEST_BASIC>
-4.683859277658999

> <JCHEM_POLAR_SURFACE_AREA>
72.63000000000001

> <JCHEM_REFRACTIVITY>
52.12190000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.19e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
caroxazone

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB09254

> <DRUG_GROUPS>
withdrawn

> <GENERIC_NAME>
Caroxazone

> <SYNONYMS>
Caroxazone

> <INTERNATIONAL_BRANDS>
Surodil; Timostenil

$$$$