DP4
  Mrv0541 02241213342D          

 18 19  0  0  0  0            999 V2000
    0.1152    2.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8297    2.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8297    1.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1152    1.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5993    1.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5993    2.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7098    0.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9402    0.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1152    0.5120    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.1152   -0.3130    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8297   -0.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8297   -1.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5993   -1.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5993   -0.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1152   -1.9630    0.0000 N   0  3  1  0  0  0  0  0  0  0  0  0
    0.5025   -2.6914    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.2721   -2.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6209   -0.0211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 18  1  1  0  0  0
 11 12  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  1  0  0  0
M  CHG  2  15   1  16  -1
M  END
> <DATABASE_ID>
DB07672

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@@]1(CC[N@@+](C)([O-])CC1)[Si](C)(C)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C14H23NOSi/c1-15(16)11-9-14(10-12-15)17(2,3)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-,15+

> <INCHI_KEY>
HDJXTRKZEHHECC-GASCZTMLSA-N

> <FORMULA>
C14H23NOSi

> <MOLECULAR_WEIGHT>
249.424

> <EXACT_MASS>
249.154890896

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0018301863642657416

> <JCHEM_AVERAGE_POLARIZABILITY>
28.025366891065904

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidin-1-ium-1-olate

> <ALOGPS_LOGP>
0.08

> <JCHEM_LOGP>
2.7855000000000003

> <ALOGPS_LOGS>
-5.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
4.301607801345786

> <JCHEM_POLAR_SURFACE_AREA>
23.06

> <JCHEM_REFRACTIVITY>
69.71600000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.13e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB07672

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-N-OXIDE

$$$$