Mrv1533004261507472D          

 13 15  0  0  0  0            999 V2000
    2.6612   -2.6869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8362   -2.6869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2487   -1.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2487   -1.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9631   -0.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3756   -0.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7881   -0.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5342   -0.7349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5342    0.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8668    0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1217    1.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9467    1.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2016    0.5750    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
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
> <DATABASE_ID>
DB11738

> <DATABASE_NAME>
drugbank

> <SMILES>
C1CC1C(NC1=NCCO1)C1CC1

> <INCHI_IDENTIFIER>
InChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)

> <INCHI_KEY>
CQXADFVORZEARL-UHFFFAOYSA-N

> <FORMULA>
C10H16N2O

> <MOLECULAR_WEIGHT>
180.251

> <EXACT_MASS>
180.126263143

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
20.379271923301893

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine

> <ALOGPS_LOGP>
1.43

> <JCHEM_LOGP>
1.5764464593333334

> <ALOGPS_LOGS>
-2.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
7.105591203799966

> <JCHEM_POLAR_SURFACE_AREA>
33.620000000000005

> <JCHEM_REFRACTIVITY>
49.79410000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.34e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
hyperium

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB11738

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Rilmenidine

> <SYNONYMS>
HYPERIUM; Rilmenidine

> <SALTS>
Rilmenidine Phosphate

$$$$