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NCID-ZINC04921675

 MMsINC code: MMs02416556
Type: Neutral
Formula: C7H14O7S
SMILES:   S(OC1COC(OC)C(O)C1O)(=O)(=O)C
InChI:   InChI=1/C7H14O7S/c1-12-7-6(9)5(8)4(3-13-7)14-15(2,10)11/h4-9H,3H2,1-2H3/t4-,5-,6-,7-/m1/s1

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Potential Energy
Epot(MMFF94)=58.6764 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.248 g/mol  logS: 0.13396  SlogP: -1.9443  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113113  Sterimol/B1: 2.43281  Sterimol/B2: 3.0333  Sterimol/B3: 3.47102
  Sterimol/B4: 5.32108  Sterimol/L: 12.5961 
 
 Surface and Volume Properties
  Accessible surface: 410.091  Positive charged surface: 278.988  Negative charged surface: 131.103  Volume: 191.75
  Hydrophobic surface: 241.82  Hydrophilic surface: 168.271
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.