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


SIAL-ZINC04544860

 MMsINC code: MMs03921911
Type: Neutral
Formula: C6H11FO5
SMILES:   FCC(=O)C(O)C(O)C(O)CO
InChI:   InChI=1/C6H11FO5/c7-1-3(9)5(11)6(12)4(10)2-8/h4-6,8,10-12H,1-2H2/t4-,5-,6-/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)=55.4828 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.147 g/mol  logS: 0.56458  SlogP: -2.4  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.15711  Sterimol/B1: 2.63752  Sterimol/B2: 2.71237  Sterimol/B3: 3.88878
  Sterimol/B4: 3.97527  Sterimol/L: 11.6071 
 
 Surface and Volume Properties
  Accessible surface: 346.036  Positive charged surface: 213.442  Negative charged surface: 132.594  Volume: 150.625
  Hydrophobic surface: 99.6308  Hydrophilic surface: 246.4052
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.