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


PUBCHEM-ZINC05751627

 MMsINC code: MMs03370962
Type: Neutral
Formula: C7H14O6
SMILES:   OC(C(O)C(O)C=O)C(O)C(O)C
InChI:   InChI=1/C7H14O6/c1-3(9)5(11)7(13)6(12)4(10)2-8/h2-7,9-13H,1H3/t3-,4-,5+,6-,7+/m1/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)=72.0302 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.183 g/mol  logS: 1.0624  SlogP: -2.9903  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.113521  Sterimol/B1: 2.53206  Sterimol/B2: 3.40303  Sterimol/B3: 3.58437
  Sterimol/B4: 3.88333  Sterimol/L: 12.451 
 
 Surface and Volume Properties
  Accessible surface: 373.314  Positive charged surface: 254.091  Negative charged surface: 119.223  Volume: 171.5
  Hydrophobic surface: 129.782  Hydrophilic surface: 243.532
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.