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CHEMSTAR-ZINC03160903

 MMsINC code: MMs01084983
Type: Ionized
Formula: C6H13O5S3-
SMILES:   S(=O)(=O)(CCCC)CCSS(=O)(=O)[O-]
InChI:   InChI=1/C6H14O5S3/c1-2-3-5-13(7,8)6-4-12-14(9,10)11/h2-6H2,1H3,(H,9,10,11)/p-1

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Potential Energy
Epot(MMFF94)=-12.9106 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.363 g/mol  logS: -1.94178  SlogP: 0.3947  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0541389  Sterimol/B1: 3.09292  Sterimol/B2: 3.22726  Sterimol/B3: 3.65497
  Sterimol/B4: 4.27758  Sterimol/L: 14.9678 
 
 Surface and Volume Properties
  Accessible surface: 446.002  Positive charged surface: 204.658  Negative charged surface: 241.343  Volume: 201.875
  Hydrophobic surface: 210.457  Hydrophilic surface: 235.545
 
 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:


MMs01084982
CHEMSTAR-ZINC03160903