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CHEMDIV-ZINC03683837

 MMsINC code: MMs00916717
Type: Neutral
Formula: C8H15NO5S2
SMILES:   S(=O)(=O)(N1CCOCC1)C1CCS(=O)(=O)C1
InChI:   InChI=1/C8H15NO5S2/c10-15(11)6-1-8(7-15)16(12,13)9-2-4-14-5-3-9/h8H,1-7H2/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=24.663 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.342 g/mol  logS: -0.22784  SlogP: -1.1645  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135657  Sterimol/B1: 3.0662  Sterimol/B2: 3.2478  Sterimol/B3: 4.79022
  Sterimol/B4: 5.02744  Sterimol/L: 11.8451 
 
 Surface and Volume Properties
  Accessible surface: 422.076  Positive charged surface: 265.184  Negative charged surface: 156.892  Volume: 212
  Hydrophobic surface: 278.397  Hydrophilic surface: 143.679
 
 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.