FMX
  Mrv0541 02241213382D          

 28 31  0  0  0  0            999 V2000
    1.8110   -0.7495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263   -1.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7714   -1.7891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2563   -2.4565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9208   -3.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4057   -3.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0701   -4.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2497   -4.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2353   -4.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1003   -3.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0536   -1.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3085   -1.0045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5385   -2.4565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3589   -0.5196    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7639    0.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0461    0.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8710    0.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2760    0.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8561    1.6367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0311    1.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3739    0.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2611    2.3554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8411    3.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2461    3.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8262    4.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0012    4.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4038    3.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0162    3.0569    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
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  1  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
> <DATABASE_ID>
DB07778

> <DATABASE_NAME>
drugbank

> <SMILES>
C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3/t22-/m0/s1

> <INCHI_KEY>
InChIKey=PCCSBWNGDMYFCW-QFIPXVFZSA-N

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
37.339983735066

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_EXACT_MASS>
374.126657074

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C22H18N2O4

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(5S)-5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-1,3-oxazolidine-2,4-dione

> <ALOGPS_LOGP>
4.81

> <JCHEM_LOGP>
5.250625688333334

> <ALOGPS_LOGS>
-5.24

> <JCHEM_MASS>
374.3893

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.257103833649683

> <JCHEM_PKA_STRONGEST_BASIC>
-8.703597858245281

> <JCHEM_POLAR_SURFACE_AREA>
67.87

> <JCHEM_REFRACTIVITY>
104.08890000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.15e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5S)-5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-1,3-oxazolidine-2,4-dione

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB07778

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
FAMOXADONE

$$$$