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ACROSORGANICS-ZINC01648298

 MMsINC code: MMs00010230
Type: Neutral
Formula: C8H14O6
SMILES:   O(C(=O)C(O)C(O)C(OCC)=O)CC
InChI:   InChI=1/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3/t5-,6-/m0/s1

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Potential Energy
Epot(MMFF94)=34.3785 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.194 g/mol  logS: -0.65622  SlogP: -1.1656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0715209  Sterimol/B1: 2.36484  Sterimol/B2: 2.80374  Sterimol/B3: 3.58027
  Sterimol/B4: 5.36652  Sterimol/L: 14.2519 
 
 Surface and Volume Properties
  Accessible surface: 429.779  Positive charged surface: 291.989  Negative charged surface: 137.79  Volume: 187.5
  Hydrophobic surface: 240.938  Hydrophilic surface: 188.841
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.