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PUBCHEM-ZINC02387215

 MMsINC code: MMs02886652
Type: Ionized
Formula: C6H13O5S3-
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)/p-1

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Potential Energy
Epot(MMFF94)=7.35912 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.363 g/mol  logS: -1.50289  SlogP: 0.3947  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0640411  Sterimol/B1: 2.29602  Sterimol/B2: 2.91505  Sterimol/B3: 4.00905
  Sterimol/B4: 4.36422  Sterimol/L: 14.8897 
 
 Surface and Volume Properties
  Accessible surface: 450.377  Positive charged surface: 200.758  Negative charged surface: 249.619  Volume: 201.5
  Hydrophobic surface: 227.599  Hydrophilic surface: 222.778
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 3  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:


MMs02886651
PUBCHEM-ZINC02387215