Mrv0541 08221314222D          

 16 17  0  0  1  0            999 V2000
    2.4671    0.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0546    0.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0546   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2296    0.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2296   -0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0620   -0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5470    0.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4928   -0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8171    0.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0079    0.0490    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2774    0.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4928    0.7164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2774   -0.3635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0620    0.7164    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7064    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.6861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  7  6  1  0  0  0  0
  9  4  2  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 10  9  1  1  0  0  0
 12 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13  6  1  0  0  0  0
 13  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14  7  1  0  0  0  0
 14 11  1  0  0  0  0
 10 16  1  6  0  0  0
M  END
> <DATABASE_ID>
DBSALT000822

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.[H][C@@]1(CN2CCSC2=N1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H/t10-;/m1./s1

> <INCHI_KEY>
LAZPBGZRMVRFKY-HNCPQSOCSA-N

> <FORMULA>
C11H13ClN2S

> <MOLECULAR_WEIGHT>
240.752

> <EXACT_MASS>
240.048796823

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.4857847972601052

> <JCHEM_AVERAGE_POLARIZABILITY>
22.256808795855523

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(6S)-6-phenyl-2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazole hydrochloride

> <ALOGPS_LOGP>
2.20

> <JCHEM_LOGP>
2.3582269016666664

> <ALOGPS_LOGS>
-2.15

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
6.975299007898724

> <JCHEM_POLAR_SURFACE_AREA>
15.6

> <JCHEM_REFRACTIVITY>
60.07840000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.44e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT000822

> <NAME>
Levamisole hydrochloride

> <DRUG_DRUGBANK_ID>
DB00848

> <DRUG_NAME>
Levamisole

> <CAS_NUMBER>
16595-80-5

> <UNII>
DL9055K809

$$$$