Mrv2304 05172316162D          

 19 19  0  0  0  0            999 V2000
   -3.5518    0.1930    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6543    0.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6543   -0.6579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3218   -1.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0668   -1.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5518   -2.5948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2418   -1.9275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9869   -1.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2023   -0.8878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0307   -0.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6439    0.4711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2461    0.1740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0746    0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7099    1.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8814    2.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6660    2.2978    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2683    2.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5162    2.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6877    1.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 13 19  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT003363

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.CN1CC(=O)N=C1NC(=O)NC1=CC(Cl)=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C11H11ClN4O2.ClH/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8;/h2-5H,6H2,1H3,(H2,13,14,15,17,18);1H

> <INCHI_KEY>
BWCJZAGTBVMMTO-UHFFFAOYSA-N

> <FORMULA>
C11H12Cl2N4O2

> <MOLECULAR_WEIGHT>
303.14

> <EXACT_MASS>
302.033731

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9498250596724921

> <JCHEM_AVERAGE_POLARIZABILITY>
25.664037101216184

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-(3-chlorophenyl)-3-(1-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)urea hydrochloride

> <JCHEM_LOGP>
0.9837657483333336

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
73.8

> <JCHEM_REFRACTIVITY>
67.70040000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
fenobam hydrochloride

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT003363

> <NAME>
Fenobam hydrochloride

> <DRUG_DRUGBANK_ID>
DB12931

> <DRUG_NAME>
Fenobam

> <UNII>
18X2C0C12Z

$$$$