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


PUBCHEM-ZINC05131969

 MMsINC code: MMs03206904
Type: Neutral
Formula: C6H11FO5
SMILES:   FC(C(O)C(O)C(O)CO)C=O
InChI:   InChI=1/C6H11FO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2H2/t3-,4-,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)=60.6275 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.147 g/mol  logS: 0.86338  SlogP: -1.9817  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.123425  Sterimol/B1: 2.61127  Sterimol/B2: 3.32742  Sterimol/B3: 3.45958
  Sterimol/B4: 3.77543  Sterimol/L: 12.0228 
 
 Surface and Volume Properties
  Accessible surface: 344.624  Positive charged surface: 222.39  Negative charged surface: 122.234  Volume: 150.5
  Hydrophobic surface: 105.511  Hydrophilic surface: 239.113
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03206905
PUBCHEM-ZINC05131969