FDN
  Mrv0541 02241213382D          

 23 25  0  0  0  0            999 V2000
    0.3443    1.8972    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1512    1.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7033    2.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5102    2.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0623    2.7803    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7652    1.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2132    0.7695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4062    0.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8541    0.3280    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3021    0.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5216   -0.1570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2666   -0.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7516   -1.6090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4416   -0.9416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1867   -0.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5979    0.0980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0433   -1.6090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8638   -1.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3487   -2.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1692   -2.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5047   -1.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0198   -0.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1993   -0.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <DATABASE_ID>
DB07763

> <DATABASE_NAME>
drugbank

> <SMILES>
C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(F)C=C1F

> <INCHI_IDENTIFIER>
InChI=1S/C16H12F2N2O3/c1-16(12-8-7-10(17)9-13(12)18)14(21)20(15(22)23-16)19-11-5-3-2-4-6-11/h2-9,19H,1H3/t16-/m0/s1

> <INCHI_KEY>
OZZFJGCAYWBVBI-INIZCTEOSA-N

> <FORMULA>
C16H12F2N2O3

> <MOLECULAR_WEIGHT>
318.2749

> <EXACT_MASS>
318.08159867

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-5.5364935474589896e-08

> <JCHEM_AVERAGE_POLARIZABILITY>
28.425986291680452

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
3.44

> <JCHEM_LOGP>
4.035742378

> <ALOGPS_LOGS>
-4.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.256765177854898

> <JCHEM_PKA_STRONGEST_BASIC>
-9.411602248634082

> <JCHEM_POLAR_SURFACE_AREA>
58.64

> <JCHEM_REFRACTIVITY>
78.28090000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.45e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB07763

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE

$$$$