1775
  Mrv0541 02231214332D          

 19 21  0  0  0  0            999 V2000
    3.5022    1.7788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2311    0.7855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8988    0.1642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9453    1.4983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1235    0.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414   -0.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2990    0.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1523    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4066    0.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1268   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9117    1.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5558   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8618   -0.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0872    1.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1268   -1.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5558   -1.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0373   -0.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414   -1.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  9  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  7 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00252

> <DATABASE_NAME>
drugbank

> <SMILES>
O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)

> <INCHI_KEY>
CXOFVDLJLONNDW-UHFFFAOYSA-N

> <FORMULA>
C15H12N2O2

> <MOLECULAR_WEIGHT>
252.268

> <EXACT_MASS>
252.089877638

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.03160463290465565

> <JCHEM_AVERAGE_POLARIZABILITY>
25.481526782247503

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,5-diphenylimidazolidine-2,4-dione

> <ALOGPS_LOGP>
2.26

> <JCHEM_LOGP>
2.1479203806666667

> <ALOGPS_LOGS>
-3.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
18.280494598437553

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.486301952880222

> <JCHEM_PKA_STRONGEST_BASIC>
-9.048670716437814

> <JCHEM_POLAR_SURFACE_AREA>
58.2

> <JCHEM_REFRACTIVITY>
70.18230000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.11e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00252

> <SECONDARY_ACCESSION_NUMBERS>
APRD00241

> <DRUG_GROUPS>
approved; vet_approved

> <GENERIC_NAME>
Phenytoin

> <SYNONYMS>
5,5-Diphenyl-imidazolidine-2,4-dione; 5,5-diphenylimidazolidine-2,4-dione; 5,5-diphenyltetrahydro-1H-2,4-imidazoledione	; 5,5-Diphenyltetrahydro-1H-2,4-imidazoledione; Diphenylhydantoin; Fenitoina; Phentytoin; Phenytoin; Phenytoine; Phenytoinum; PR-122 (redox-phenytoin); Redox-phenytoin

> <PRODUCTS>
Dilantin; Dilantin Infatabs; Dilantin Inj 50mg/ml; Dilantin Kapseals; Dilantin W Phenobarbital 15mg; Dilantin W Phenobarbital 30mg Cap; Dilantin-125; Dilantin-125 Suspension; Dilantin-30 Suspension; Extended Phenytoin Sodium; Novo-phenytoin Cap 100mg; Phenytek; Phenytoin; Phenytoin ER; Phenytoin Infatabs; Phenytoin Sodium; Phenytoin Sodium Extended; Phenytoin Sodium Injection USP; Phenytoin Soidum Injection USP; Taro-phenytoin

> <INTERNATIONAL_BRANDS>
Epanutin; Eptoin

> <SALTS>
Phenytoin sodium

$$$$