Mrv1902 04031915512D          

 19 22  0  0  0  0            999 V2000
   -0.9992   -0.4028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7287    0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7099   -0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4368    0.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4281   -0.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3980   -0.9987    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4246   -0.9914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9992    0.4028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4246    0.9914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4281    0.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4368   -0.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7287   -0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3980    0.9987    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3980    0.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9992    0.4225    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9992    1.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9992   -0.4225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9992   -1.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 16  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  5  4  1  0  0  0  0
  7  6  1  0  0  0  0
 16 14  1  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  9  8  1  0  0  0  0
  6 18  1  0  0  0  0
 14  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
  8 12  1  0  0  0  0
 18 13  1  0  0  0  0
 18  8  1  0  0  0  0
 14 15  1  1  0  0  0
  6 15  1  1  0  0  0
 16 17  1  1  0  0  0
 18 19  1  6  0  0  0
M  END
> <DATABASE_ID>
DB06727

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@@]12CCCCN1C[C@@H]1C[C@H]2CN2CCCC[C@]12[H]

> <INCHI_IDENTIFIER>
InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m0/s1

> <INCHI_KEY>
SLRCCWJSBJZJBV-ZQDZILKHSA-N

> <FORMULA>
C15H26N2

> <MOLECULAR_WEIGHT>
234.387

> <EXACT_MASS>
234.209598845

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
28.37103831234458

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadecane

> <ALOGPS_LOGP>
2.98

> <JCHEM_LOGP>
2.027827476999999

> <ALOGPS_LOGS>
-2.40

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA_STRONGEST_BASIC>
9.16023077227616

> <JCHEM_POLAR_SURFACE_AREA>
6.48

> <JCHEM_REFRACTIVITY>
71.82300000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.31e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sulfatide

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB06727

> <DRUG_GROUPS>
experimental; withdrawn

> <GENERIC_NAME>
Sparteine

> <SYNONYMS>
(-)-sparteine; 6β,7α,9α,11α-pachycarpine; Esparteina; Lupinidine; Sparteina; Sparteine; Sparteinum

> <SALTS>
Sparteine sulfate

$$$$