Mrv0541 02231217042D          

  5  4  0  0  0  0            999 V2000
    0.8250    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
M  END
> <DATABASE_ID>
DB03636

> <DATABASE_NAME>
drugbank

> <SMILES>
NCC(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C2H6N2O/c3-1-2(4)5/h1,3H2,(H2,4,5)

> <INCHI_KEY>
InChIKey=BEBCJVAWIBVWNZ-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
7.050106440792112

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_EXACT_MASS>
74.048012824

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C2H6N2O

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-aminoacetamide

> <ALOGPS_LOGP>
-2.49

> <JCHEM_LOGP>
-1.9544181706666666

> <ALOGPS_LOGS>
0.87

> <JCHEM_MASS>
74.0818

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.37495243003757

> <JCHEM_PKA_STRONGEST_BASIC>
8.146580158833691

> <JCHEM_POLAR_SURFACE_AREA>
69.11

> <JCHEM_REFRACTIVITY>
17.8256

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.44e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
glycinamid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB03636

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Glycinamid

$$$$