Mrv1909 08212003442D          

 14 12  0  0  1  0            999 V2000
    0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9155   -0.4146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7721   -0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0577   -0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3432   -0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6287   -0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9143   -0.0022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2011   -0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2011    0.8228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4866   -0.4147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4866   -1.2397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5 11  1  0  0  0  0
 13 11  1  0  0  0  0
  6 13  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  1  0  0  0
M  END
> <DATABASE_ID>
DBSALT001763

> <DATABASE_NAME>
drugbank

> <SMILES>
CC(O)=O.NCCCC[C@H](N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H14N2O2.C2H4O2/c7-4-2-1-3-5(8)6(9)10;1-2(3)4/h5H,1-4,7-8H2,(H,9,10);1H3,(H,3,4)/t5-;/m0./s1

> <INCHI_KEY>
RRNJROHIFSLGRA-JEDNCBNOSA-N

> <FORMULA>
C8H18N2O4

> <MOLECULAR_WEIGHT>
206.242

> <EXACT_MASS>
206.126657068

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9958046448055817

> <JCHEM_AVERAGE_POLARIZABILITY>
15.838971425094257

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2,6-diaminohexanoic acid; acetic acid

> <ALOGPS_LOGP>
-3.76

> <JCHEM_LOGP>
-3.2145347205442243

> <ALOGPS_LOGS>
-0.14

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.7382862451337

> <JCHEM_PKA_STRONGEST_BASIC>
10.288061623041543

> <JCHEM_POLAR_SURFACE_AREA>
89.34

> <JCHEM_REFRACTIVITY>
37.8095

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.05e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
unii-71TH42O2CQ

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001763

> <NAME>
Lysine acetate

> <DRUG_DRUGBANK_ID>
DB00123

> <DRUG_NAME>
Lysine

> <CAS_NUMBER>
57282-49-2

> <UNII>
TTL6G7LIWZ

$$$$