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PUBCHEM-ZINC02387215

 MMsINC code: MMs02886651
Type: Neutral
Formula: C6H14O5S3
SMILES:   S(O)(=O)(=O)CCCCCSS(=O)(=O)C
InChI:   InChI=1/C6H14O5S3/c1-13(7,8)12-5-3-2-4-6-14(9,10)11/h2-6H2,1H3,(H,9,10,11)

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Potential Energy
Epot(MMFF94)=7.64299 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.371 g/mol  logS: -1.43137  SlogP: 0.1716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0776084  Sterimol/B1: 2.24126  Sterimol/B2: 3.01152  Sterimol/B3: 4.46854
  Sterimol/B4: 4.80885  Sterimol/L: 14.5822 
 
 Surface and Volume Properties
  Accessible surface: 446.377  Positive charged surface: 220.733  Negative charged surface: 225.644  Volume: 204.75
  Hydrophobic surface: 220.667  Hydrophilic surface: 225.71
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02886652
PUBCHEM-ZINC02387215