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


APOLLO-ZINC02573957

 MMsINC code: MMs00054814
Type: Neutral
Formula: C6H2Cl2F2O
SMILES:   Clc1c(O)c(Cl)c(F)cc1F
InChI:   InChI=1/C6H2Cl2F2O/c7-4-2(9)1-3(10)5(8)6(4)11/h1,11H

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)=29.6379 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.983 g/mol  logS: -3.08147  SlogP: 2.9772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0148204  Sterimol/B1: 2.097  Sterimol/B2: 2.28735  Sterimol/B3: 4.74998
  Sterimol/B4: 4.75004  Sterimol/L: 8.46209 
 
 Surface and Volume Properties
  Accessible surface: 313.581  Positive charged surface: 91.0467  Negative charged surface: 222.535  Volume: 132.625
  Hydrophobic surface: 272.314  Hydrophilic surface: 41.267
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.