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


PUBCHEM-ZINC05132026

 MMsINC code: MMs03206976
Type: Neutral
Formula: C6H11FO5
SMILES:   FCC(O)C(O)C(O)C(O)C=O
InChI:   InChI=1/C6H11FO5/c7-1-3(9)5(11)6(12)4(10)2-8/h2-6,9-12H,1H2/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)=66.1237 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.147 g/mol  logS: 0.86338  SlogP: -2.4016  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.139427  Sterimol/B1: 2.90318  Sterimol/B2: 2.93894  Sterimol/B3: 3.49053
  Sterimol/B4: 3.76489  Sterimol/L: 11.3667 
 
 Surface and Volume Properties
  Accessible surface: 334.789  Positive charged surface: 207.013  Negative charged surface: 127.776  Volume: 149.75
  Hydrophobic surface: 116.656  Hydrophilic surface: 218.133
 
 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: no related molecules available.