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PUBCHEM-ZINC04831371

 MMsINC code: MMs03177131
Type: Neutral
Formula: C10H16O6
SMILES:   O1C(C2OC(OCC2OC1C)C)C(OC)=O
InChI:   InChI=1/C10H16O6/c1-5-13-4-7-8(15-5)9(10(11)12-3)16-6(2)14-7/h5-9H,4H2,1-3H3/t5-,6-,7-,8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=40.3777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.232 g/mol  logS: -1.28283  SlogP: 0.0508  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0968914  Sterimol/B1: 2.74003  Sterimol/B2: 2.95727  Sterimol/B3: 3.24844
  Sterimol/B4: 7.8966  Sterimol/L: 11.6608 
 
 Surface and Volume Properties
  Accessible surface: 446.2  Positive charged surface: 349.063  Negative charged surface: 97.1372  Volume: 210.375
  Hydrophobic surface: 332.428  Hydrophilic surface: 113.772
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.