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


PUBCHEM-ZINC05112825

 MMsINC code: MMs03201241
Type: Neutral
Formula: C3H2Cl2F4O
SMILES:   ClC(Cl)C(F)(F)OC(F)F
InChI:   InChI=1/C3H2Cl2F4O/c4-1(5)3(8,9)10-2(6)7/h1-2H

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)=6.93827 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.946 g/mol  logS: -1.98764  SlogP: 3.8818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176995  Sterimol/B1: 2.56872  Sterimol/B2: 3.28337  Sterimol/B3: 3.32107
  Sterimol/B4: 3.75629  Sterimol/L: 9.18827 
 
 Surface and Volume Properties
  Accessible surface: 299.648  Positive charged surface: 62.5739  Negative charged surface: 237.075  Volume: 117
  Hydrophobic surface: 42.6946  Hydrophilic surface: 256.9534
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.