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


ACROSORGANICS-ZINC03860857

 MMsINC code: MMs00015604
Type: Neutral
Formula: C3H2F6O
SMILES:   FC(F)(F)C(O)C(F)(F)F
InChI:   InChI=1/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H

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)=30.689 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.036 g/mol  logS: -1.55398  SlogP: 2.3117  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.393652  Sterimol/B1: 2.54275  Sterimol/B2: 3.20057  Sterimol/B3: 3.46628
  Sterimol/B4: 3.52304  Sterimol/L: 7.77454 
 
 Surface and Volume Properties
  Accessible surface: 253.581  Positive charged surface: 50.7658  Negative charged surface: 202.815  Volume: 92.375
  Hydrophobic surface: 19.0277  Hydrophilic surface: 234.5533
 
 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


MMs00015605
ACROSORGANICS-ZINC03860857