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


PUBCHEM-ZINC02040701

 MMsINC code: MMs02862801
Type: Neutral
Formula: C6H13FO3
SMILES:   FCCOCCOCCO
InChI:   InChI=1/C6H13FO3/c7-1-3-9-5-6-10-4-2-8/h8H,1-6H2

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)=34.1698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.165 g/mol  logS: 0.00303  SlogP: -0.0186  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0947397  Sterimol/B1: 2.66554  Sterimol/B2: 3.02084  Sterimol/B3: 3.19138
  Sterimol/B4: 4.74041  Sterimol/L: 11.7634 
 
 Surface and Volume Properties
  Accessible surface: 378.944  Positive charged surface: 313.558  Negative charged surface: 65.3856  Volume: 146.375
  Hydrophobic surface: 280.707  Hydrophilic surface: 98.237
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: no related molecules available.