Mrv1718004051817282D          

 13 11  0  0  0  0            999 V2000
   -3.3036   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4161    1.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1141    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5431    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0661   -1.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0661    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8911   -0.3019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2411   -0.3019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8286    0.4125    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0661   -0.3019    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.6536   -0.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3036   -0.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4786   -0.0161    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0  0  0  0
  9  2  1  0  0  0  0
  9  3  1  0  0  0  0
  9  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 10  6  1  0  0  0  0
 10  7  1  0  0  0  0
 10  8  1  0  0  0  0
 13 11  2  0  0  0  0
 13 12  2  0  0  0  0
M  END
> <DATABASE_ID>
DB09512

> <DATABASE_NAME>
drugbank

> <SMILES>
O=[Si]=O.CO[Si](C)(C)O[Si](C)(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C6H18O2Si2.O2Si/c1-7-10(5,6)8-9(2,3)4;1-3-2/h1-6H3;

> <INCHI_KEY>
AMTWCFIAVKBGOD-UHFFFAOYSA-N

> <FORMULA>
C6H18O4Si3

> <MOLECULAR_WEIGHT>
238.461

> <EXACT_MASS>
238.051288665

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
18.479733310762818

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,3,5,5-tetramethyl-2,4-dioxa-3,5-disilahexane; silanedione

> <ALOGPS_LOGP>
2.60

> <JCHEM_LOGP>
1.7615999999999996

> <ALOGPS_LOGS>
-2.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.673041395763717

> <JCHEM_POLAR_SURFACE_AREA>
18.46

> <JCHEM_REFRACTIVITY>
37.628800000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.71e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
simethicone

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB09512

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Simethicone

> <SYNONYMS>
Simeticona; Simeticone; Siméticone; Simeticonum

> <PRODUCTS>
Antacid & Antigas; Antacid Plus Antiflatulent - Alumina, Magnesia & Simethicone Oral Suspension; Antacid Plus Extra Strength; Antacid Regular With Anti-gas; Antacid With Alumina, Magnesia Plus Simethicone Oral Suspension USP; Antacid With Anti-gas Liquid Extra Strength Mint Flavour; Cancap Simethicone USP 180 Mg Soft Capsules; Diovol Plus Aluminum Free; Diovol Plus Aluminum Free Suspension; Diovol Plus Suspension; Diovol Plus Tablets; Extra Strength Gas Relief; Extra Strength Gas Relief Liquid Gels; Extra Strength Maalox Grf Tablets 150mg; Flat-eeze; Gas Relief; Gas Relief Extra Strength; Gas Relief Liquid Gels; Gas Relief Tablets; Gas Relief Ultra Strength; Gas X Thin Strips 62.5mg Simethicone; Gas X Ultra Strength; Gas-X Extra Strength; Gas-X Regular Strength; Gas-X Super Extra Strength; Gastrex; Gelusil Antacid & Anti-gas; Gelusil Antacid and Anti-gas; Gerber Gas Relief Drops; Imodium Complete; Imodium Complete Chewable Tablets; Infacol; Little Tummys Gas Relief Drops; Maalox Advanced Antacid & Antigas; Maalox Advanced Extra Strength Antacid & Antigas; Maalox Advanced Extra Strength Antacid & Antigas Chewable Tablets; Maalox Grf Tablets 80mg; Maalox Plus Extra Strength Tablets; Maalox Plus Suspension Extra Strength; Magsil; Ovol Drops; Ovol for Gas 180 Mg Capsule; Ovol for Gas 180 Mg Tablet; Ovol for Gas 80 Mg Tablet; Ovol-95 Mg Capsules; Pediacol; Phazyme Cap 125mg; Phazyme Cap 95mg; Phazyme Liquid; Rolaids Extra Strength Multi-symptom Tablets; Rolaids Ultra Strength Plus Gas; Simethicone 125 Mg Softgel Capsules; Simethicone 125 mg; Simethicone 180 mg; Simethicone 180mg USP; Simethicone-odan 180mg Extra Strength; Simethicone-odan 80 mg; Tums Chewy Bites with Gas Relief; Tums Gas Relief 125 mg; Tums Gas Relief Strong 180 mg; Tums Ultra Strength Liquid Plus Anti-gas; Ultra Strength Gas Relief; Ultra Strength Gas Relief Liquid Gels; Ultra Strength Phazyme 180mg Softgels; Vivascon Extra Strength

$$$$