Mrv1909 08212003442D          

 11  9  0  0  1  0            999 V2000
    7.2767    2.0089    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0447    0.3219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9013    0.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1869    0.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4724    0.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7579    0.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0435    0.7343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3303    0.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3303    1.5594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6158    0.3218    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6158   -0.5031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
 10  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  1  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT001756

> <DATABASE_NAME>
drugbank

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

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

> <INCHI_KEY>
BVHLGVCQOALMSV-JEDNCBNOSA-N

> <FORMULA>
C6H15ClN2O2

> <MOLECULAR_WEIGHT>
182.649

> <EXACT_MASS>
182.082205441

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
26

> <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 hydrochloride

> <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>
DBSALT001756

> <NAME>
Lysine hydrochloride

> <DRUG_DRUGBANK_ID>
DB00123

> <DRUG_NAME>
Lysine

> <CAS_NUMBER>
657-27-2

> <UNII>
JNJ23Q2COM

$$$$