Mrv0541 02231215512D          

 12 14  0  0  0  0            999 V2000
    0.7478   -1.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8341   -0.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6410   -0.0568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0535    0.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8785    0.6576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2910   -0.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0980   -0.2284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1842   -1.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4306   -1.3844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8785   -0.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0535   -0.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5015   -1.3844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
  6 10  4  0  0  0  0
 10 11  4  0  0  0  0
  3 11  4  0  0  0  0
 11 12  4  0  0  0  0
  1 12  4  0  0  0  0
M  END
> <DATABASE_ID>
DB01952

> <DATABASE_NAME>
drugbank

> <SMILES>
c1cn2cnc3ncnc3c2n1

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
14.660570377044921

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
158.046670153

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C7H4N5

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
imidazo[2,1-f]purine

> <ALOGPS_LOGP>
0.11

> <JCHEM_LOGP>
-0.6050074116666668

> <ALOGPS_LOGS>
-0.84

> <JCHEM_MASS>
158.1402

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
4.650713774587197

> <JCHEM_POLAR_SURFACE_AREA>
55.97

> <JCHEM_REFRACTIVITY>
43.732699999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.32e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,N6-ethenoadenine

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB01952

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
1,N6-Ethenoadenine

$$$$