Mrv1909 03032022462D          

 20 20  0  0  0  0            999 V2000
   -1.4904    0.5675    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7762    0.9712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4904   -0.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3079    0.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9009    1.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310    0.9918    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7382   -0.7192    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.7935    0.9918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310    0.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310    1.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7762   -1.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5317   -1.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4732    0.5675    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.7382   -0.7192    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.4732   -0.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8871    1.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    0.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7491   -1.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7452   -1.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <DATABASE_ID>
DB11244

> <DATABASE_NAME>
drugbank

> <SMILES>
C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1

> <INCHI_IDENTIFIER>
InChI=1S/C10H30O5Si5/c1-16(2)11-17(3,4)13-19(7,8)15-20(9,10)14-18(5,6)12-16/h1-10H3

> <INCHI_KEY>
XMSXQFUHVRWGNA-UHFFFAOYSA-N

> <FORMULA>
C10H30O5Si5

> <MOLECULAR_WEIGHT>
370.77

> <EXACT_MASS>
370.093956741

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
6.45238975936893e-11

> <JCHEM_AVERAGE_POLARIZABILITY>
35.08552717376326

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
decamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane

> <ALOGPS_LOGP>
4.08

> <JCHEM_LOGP>
0.9579999999999993

> <ALOGPS_LOGS>
-4.66

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.348965300621655

> <JCHEM_POLAR_SURFACE_AREA>
46.150000000000006

> <JCHEM_REFRACTIVITY>
66.20800000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.03e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-2-(hydroxymethyl)-1-methylindole-3-carboxylate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB11244

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Cyclomethicone 5

> <SYNONYMS>
Ciclopentasiloxane; Cyclomethicone D5; Cyclopentasiloxane; Decamethylcyclopentasiloxane

> <PRODUCTS>
3ce CR Eamy Water Proof Eye Liner 01 Cats; 3ce CR Eamy Water Proof Eye Liner 02 Zorro; 3ce CR Eamy Water Proof Eye Liner 08 Les Miserables; 3ce CR Eamy Water Proof Eye Liner 13 Caffeine; 3ce Pink Im Good Mascara; Bp; Lightening Serum; Liquid; Mefactory Super Clear Lip And Eye Remover; Secret Key Tattoo Cover Cushion Spf50 Plus (21 Light Beige); Secret Key Tattoo Cover Cushion Spf50 Plus (23 Natural Beige)

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