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NCID-ZINC01580473

 MMsINC code: MMs02238073
Type: Neutral
Formula: C8H16O6
SMILES:   O(C(C(O)C(OC)OC)C(OC)=O)C
InChI:   InChI=1/C8H16O6/c1-11-6(7(10)12-2)5(9)8(13-3)14-4/h5-6,8-9H,1-4H3/t5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=69.5596 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.21 g/mol  logS: -0.10482  SlogP: -0.8458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.237838  Sterimol/B1: 1.969  Sterimol/B2: 2.62775  Sterimol/B3: 4.70784
  Sterimol/B4: 7.5507  Sterimol/L: 11.0352 
 
 Surface and Volume Properties
  Accessible surface: 405.059  Positive charged surface: 347.647  Negative charged surface: 57.4123  Volume: 192.5
  Hydrophobic surface: 325.07  Hydrophilic surface: 79.989
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.