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PUBCHEM-ZINC04578983

 MMsINC code: MMs03137314
Type: Neutral
Formula: C6H12O5
SMILES:   O1C(OC)C(O)C(O)C1OC
InChI:   InChI=1/C6H12O5/c1-9-5-3(7)4(8)6(10-2)11-5/h3-8H,1-2H3/t3-,4-,5-,6+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.8597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.157 g/mol  logS: 0.47632  SlogP: -1.3166  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132897  Sterimol/B1: 2.22994  Sterimol/B2: 2.75889  Sterimol/B3: 3.20941
  Sterimol/B4: 5.85146  Sterimol/L: 10.325 
 
 Surface and Volume Properties
  Accessible surface: 354.743  Positive charged surface: 299.824  Negative charged surface: 54.9191  Volume: 148.125
  Hydrophobic surface: 236.356  Hydrophilic surface: 118.387
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.