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


NCID-ZINC01581065

 MMsINC code: MMs02238509
Type: Neutral
Formula: C6H10O6
SMILES:   OC(O)(CCCC(O)=O)C(O)=O
InChI:   InChI=1/C6H10O6/c7-4(8)2-1-3-6(11,12)5(9)10/h11-12H,1-3H2,(H,7,8)(H,9,10)

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)=17.6999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.14 g/mol  logS: 0.48144  SlogP: -0.9932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109341  Sterimol/B1: 3.12183  Sterimol/B2: 3.29361  Sterimol/B3: 3.36166
  Sterimol/B4: 3.41192  Sterimol/L: 12.0826 
 
 Surface and Volume Properties
  Accessible surface: 351.425  Positive charged surface: 212.305  Negative charged surface: 139.12  Volume: 147.5
  Hydrophobic surface: 86.9283  Hydrophilic surface: 264.4967
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02238510
NCID-ZINC01581065