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


ENAMINE-ZINC03167798

 MMsINC code: MMs01293221
Type: Neutral
Formula: C6H7F3O5
SMILES:   FC(F)(F)C(O)(CC(O)=O)C(OC)=O
InChI:   InChI=1/C6H7F3O5/c1-14-4(12)5(13,2-3(10)11)6(7,8)9/h13H,2H2,1H3,(H,10,11)/t5-/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)=20.8483 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.111 g/mol  logS: -0.75692  SlogP: 0.3474  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.195948  Sterimol/B1: 2.968  Sterimol/B2: 3.50353  Sterimol/B3: 3.55379
  Sterimol/B4: 5.25452  Sterimol/L: 9.90047 
 
 Surface and Volume Properties
  Accessible surface: 350.376  Positive charged surface: 181.145  Negative charged surface: 169.231  Volume: 150
  Hydrophobic surface: 120.159  Hydrophilic surface: 230.217
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01293222
ENAMINE-ZINC03167798