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NCID-ZINC01572177

 MMsINC code: MMs02232017
Type: Ionized
Formula: C6H8O8S2-2
SMILES:   S(=O)(=O)(CC(=O)[O-])CCS(=O)(=O)CC(=O)[O-]
InChI:   InChI=1/C6H10O8S2/c7-5(8)3-15(11,12)1-2-16(13,14)4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/p-2

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Potential Energy
Epot(MMFF94)=-28.5864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.254 g/mol  logS: -0.32546  SlogP: -4.6842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0722609  Sterimol/B1: 2.74234  Sterimol/B2: 3.07205  Sterimol/B3: 3.07454
  Sterimol/B4: 3.56935  Sterimol/L: 14.0532 
 
 Surface and Volume Properties
  Accessible surface: 420.49  Positive charged surface: 145.931  Negative charged surface: 274.559  Volume: 187.125
  Hydrophobic surface: 124.193  Hydrophilic surface: 296.297
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 4  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:


MMs02232016
NCID-ZINC01572177