Mrv1652308061602102D          

 12  9  0  0  0  0            999 V2000
   -0.2873    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0017    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4271    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7162    0.6187    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4307    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1416    0.6187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7162   -0.2062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1451    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4307    1.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1451    0.8662    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -1.8562    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7162    1.4437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  4  7  1  1  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
  4 12  1  1  0  0  0
M  END
> <DATABASE_ID>
DBSALT001925

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/C5H12N2O2.2ClH/c6-3-1-2-4(7)5(8)9;;/h4H,1-3,6-7H2,(H,8,9);2*1H/t4-;;/m0../s1

> <INCHI_KEY>
HGBAVEGDXFHRQP-FHNDMYTFSA-N

> <FORMULA>
C5H14Cl2N2O2

> <MOLECULAR_WEIGHT>
205.08

> <EXACT_MASS>
204.0432331

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
13.821417216956522

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2,5-diaminopentanoic acid dihydrochloride

> <ALOGPS_LOGP>
-3.64

> <JCHEM_LOGP>
-3.6582876081320586

> <ALOGPS_LOGS>
0.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.666422703275891

> <JCHEM_PKA_STRONGEST_BASIC>
10.2868213384358

> <JCHEM_POLAR_SURFACE_AREA>
89.34

> <JCHEM_REFRACTIVITY>
33.20850000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.72e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ornithine dihydrochloride

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001925

> <NAME>
Ornithine dihydrochloride

> <DRUG_DRUGBANK_ID>
DB00129

> <DRUG_NAME>
Ornithine

> <CAS_NUMBER>
6211-16-1

> <UNII>
8N284L2VLC

$$$$