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PUBCHEM-ZINC03650148

 MMsINC code: MMs03033736
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-/m1/s1

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Potential Energy
Epot(MMFF94)=57.7071 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: 0.169334  Sterimol/B1: 3.19425  Sterimol/B2: 3.32476  Sterimol/B3: 3.64458
  Sterimol/B4: 4.64175  Sterimol/L: 10.9914 
 
 Surface and Volume Properties
  Accessible surface: 367.39  Positive charged surface: 267.006  Negative charged surface: 100.384  Volume: 166.875
  Hydrophobic surface: 186.809  Hydrophilic surface: 180.581
 
 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.