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PUBCHEM-ZINC05850852

 MMsINC code: MMs03416654
Type: Neutral
Formula: C6H10O5
SMILES:   O1CC(O)C(O)CC1C(O)=O
InChI:   InChI=1/C6H10O5/c7-3-1-5(6(9)10)11-2-4(3)8/h3-5,7-8H,1-2H2,(H,9,10)/t3-,4-,5-/m0/s1

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Potential Energy
Epot(MMFF94)=37.7148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.141 g/mol  logS: 0.32545  SlogP: -1.4183  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113583  Sterimol/B1: 2.71575  Sterimol/B2: 3.01444  Sterimol/B3: 3.05541
  Sterimol/B4: 4.80937  Sterimol/L: 10.545 
 
 Surface and Volume Properties
  Accessible surface: 328.016  Positive charged surface: 229.327  Negative charged surface: 98.6897  Volume: 137.625
  Hydrophobic surface: 128.421  Hydrophilic surface: 199.595
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03416655
PUBCHEM-ZINC05850852