Mrv1909 05071920222D          

 17 17  0  0  0  0            999 V2000
    1.7627    1.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483   -1.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5077   -1.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6828   -1.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483    1.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3807    0.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3807    1.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3337    0.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0952   -0.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0952    1.8723    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7627   -1.0876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4276   -1.0876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3337    1.8723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483    0.6348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0952    0.2223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3337   -0.6026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5717   -0.0669    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 11  9  2  0  0  0  0
 12  4  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  2  0  0  0  0
 13  7  1  0  0  0  0
 14  5  1  0  0  0  0
 14  8  2  0  0  0  0
 15  6  1  0  0  0  0
 15  9  1  0  0  0  0
 16  2  1  0  0  0  0
 16  8  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT002876

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.COC1=NC(C)=NC(Cl)=C1NC1=NCCN1

> <INCHI_IDENTIFIER>
InChI=1S/C9H12ClN5O.ClH/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9;/h3-4H2,1-2H3,(H2,11,12,15);1H

> <INCHI_KEY>
ZZPAWQYZQVUVHX-UHFFFAOYSA-N

> <FORMULA>
C9H13Cl2N5O

> <MOLECULAR_WEIGHT>
278.14

> <EXACT_MASS>
277.0497155

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
23.566143870414198

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine hydrochloride

> <ALOGPS_LOGP>
1.01

> <JCHEM_LOGP>
1.5387770663333333

> <ALOGPS_LOGS>
-3.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
7.2619138667058465

> <JCHEM_POLAR_SURFACE_AREA>
71.43

> <JCHEM_REFRACTIVITY>
63.41069999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.14e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
moxonidine hydrochloride

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002876

> <NAME>
Moxonidine hydrochloride

> <DRUG_DRUGBANK_ID>
DB09242

> <DRUG_NAME>
Moxonidine

> <CAS_NUMBER>
75438-58-3

> <UNII>
5RYW07SK5E

$$$$