Mrv1652312081619482D          

 19 20  0  0  1  0            999 V2000
   -2.4933   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0808    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2558    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8433    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2558   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0808   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0183   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4666    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2512    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0359    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5208    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0359   -0.6674    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2512   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4666   -0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2315   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2315    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.2315    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0565   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4065    0.0000    0.0000 O   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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  7  4  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
  7 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT001628

> <DATABASE_NAME>
drugbank

> <SMILES>
OP(O)(O)=O.C1CN2C[C@@H](N=C2S1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C11H12N2S.H3O4P/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;1-5(2,3)4/h1-5,10H,6-8H2;(H3,1,2,3,4)/t10-;/m1./s1

> <INCHI_KEY>
QEMMFDPTLWDHKP-HNCPQSOCSA-N

> <FORMULA>
C11H15N2O4PS

> <MOLECULAR_WEIGHT>
302.28

> <EXACT_MASS>
302.049015143

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
22.2246870486643

> <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; phosphoric acid

> <ALOGPS_LOGP>
2.20

> <JCHEM_LOGP>
2.3582269016666664

> <ALOGPS_LOGS>
-2.15

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
6.975299007898726

> <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>
levamisole; phosphoric acid

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT001628

> <NAME>
Levamisole phosphate

> <DRUG_DRUGBANK_ID>
DB00848

> <DRUG_NAME>
Levamisole

> <CAS_NUMBER>
32093-35-9

> <UNII>
FIG89N8AZY

$$$$