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PUBCHEM-ZINC01532671

 MMsINC code: MMs02813689
Type: Neutral
Formula: C6H10O5
SMILES:   O1CC(=O)C(O)C(O)C1CO
InChI:   InChI=1/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h4-7,9-10H,1-2H2/t4-,5-,6-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.5427 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.141 g/mol  logS: 0.39425  SlogP: -2.3316  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118702  Sterimol/B1: 2.39276  Sterimol/B2: 2.79314  Sterimol/B3: 2.83208
  Sterimol/B4: 6.1487  Sterimol/L: 10.1937 
 
 Surface and Volume Properties
  Accessible surface: 327.284  Positive charged surface: 238.003  Negative charged surface: 89.2808  Volume: 137.5
  Hydrophobic surface: 139.569  Hydrophilic surface: 187.715
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.