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ASINEX-ZINC04064146

 MMsINC code: MMs00299887
Type: Neutral
Formula: C5H10O5S2
SMILES:   S(OC1CCS(=O)(=O)C1)(=O)(=O)C
InChI:   InChI=1/C5H10O5S2/c1-11(6,7)10-5-2-3-12(8,9)4-5/h5H,2-4H2,1H3/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=28.7097 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.262 g/mol  logS: -0.41805  SlogP: -0.8503  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141531  Sterimol/B1: 2.98682  Sterimol/B2: 3.0489  Sterimol/B3: 3.27285
  Sterimol/B4: 4.47224  Sterimol/L: 10.1926 
 
 Surface and Volume Properties
  Accessible surface: 352.699  Positive charged surface: 159.36  Negative charged surface: 193.339  Volume: 157.75
  Hydrophobic surface: 193.751  Hydrophilic surface: 158.948
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.