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PUBCHEM-ZINC06030223

 MMsINC code: MMs03502677
Type: Neutral
Formula: C7H14O5
SMILES:   O(C(C(O)C(O)C(O)C)C=O)C
InChI:   InChI=1/C7H14O5/c1-4(9)6(10)7(11)5(3-8)12-2/h3-7,9-11H,1-2H3/t4-,5+,6+,7-/m0/s1

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Potential Energy
Epot(MMFF94)=56.6742 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.184 g/mol  logS: 0.51468  SlogP: -1.6971  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.162845  Sterimol/B1: 3.10457  Sterimol/B2: 3.14661  Sterimol/B3: 3.51082
  Sterimol/B4: 4.70997  Sterimol/L: 10.9671 
 
 Surface and Volume Properties
  Accessible surface: 364.642  Positive charged surface: 267.722  Negative charged surface: 96.9203  Volume: 166.625
  Hydrophobic surface: 193.148  Hydrophilic surface: 171.494
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.