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PUBCHEM-ZINC04095647

 MMsINC code: MMs03089471
Type: Neutral
Formula: C6H12O6
SMILES:   OC(C(O)CO)C(=O)C(O)CO
InChI:   InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-5,7-11H,1-2H2/t3-,4+,5-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.1446 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.156 g/mol  logS: 1.09081  SlogP: -3.3772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102947  Sterimol/B1: 2.55191  Sterimol/B2: 2.95093  Sterimol/B3: 3.11537
  Sterimol/B4: 4.29511  Sterimol/L: 11.4876 
 
 Surface and Volume Properties
  Accessible surface: 355.617  Positive charged surface: 238.756  Negative charged surface: 116.861  Volume: 153.875
  Hydrophobic surface: 107.592  Hydrophilic surface: 248.025
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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.