logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC06157441

 MMsINC code: MMs03568450
Type: Neutral
Formula: C6H10O5
SMILES:   O1C(CO)C(O)C(O)C1C=O
InChI:   InChI=1/C6H10O5/c7-1-3-5(9)6(10)4(2-8)11-3/h1,3-6,8-10H,2H2/t3-,4-,5+,6+/m0/s1

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=66.0643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.141 g/mol  logS: 0.69305  SlogP: -2.3332  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.158276  Sterimol/B1: 2.8354  Sterimol/B2: 3.3622  Sterimol/B3: 4.16839
  Sterimol/B4: 4.37621  Sterimol/L: 9.72303 
 
 Surface and Volume Properties
  Accessible surface: 325.487  Positive charged surface: 236.926  Negative charged surface: 88.5609  Volume: 138.375
  Hydrophobic surface: 123.036  Hydrophilic surface: 202.451
 
 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
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.