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PUBCHEM-ZINC02165045

 MMsINC code: MMs02878599
Type: Ionized
Formula: C6H12O6S3-2
SMILES:   S(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-]
InChI:   InChI=1/C6H14O6S3/c7-14(8,9)5-1-3-13-4-2-6-15(10,11)12/h1-6H2,(H,7,8,9)(H,10,11,12)/p-2

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Potential Energy
Epot(MMFF94)=18.3388 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.354 g/mol  logS: -1.1701  SlogP: -0.4098  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0382026  Sterimol/B1: 2.63359  Sterimol/B2: 3.04565  Sterimol/B3: 3.04578
  Sterimol/B4: 3.14416  Sterimol/L: 16.4049 
 
 Surface and Volume Properties
  Accessible surface: 459.881  Positive charged surface: 189.834  Negative charged surface: 270.047  Volume: 205.375
  Hydrophobic surface: 192.208  Hydrophilic surface: 267.673
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 6  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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Parent related molecule:


MMs02878598
PUBCHEM-ZINC02165045