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


ACROSORGANICS-ZINC00120066

 MMsINC code: MMs00004233
Type: Ionized
Formula: C9H3F6O2-
SMILES:   FC(F)(F)c1cccc(C(F)(F)F)c1C(=O)[O-]
InChI:   InChI=1/C9H4F6O2/c10-8(11,12)4-2-1-3-5(9(13,14)15)6(4)7(16)17/h1-3H,(H,16,17)/p-1

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)=40.4073 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.109 g/mol  logS: -3.72783  SlogP: 2.7107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0747762  Sterimol/B1: 2.57111  Sterimol/B2: 2.71473  Sterimol/B3: 2.7162
  Sterimol/B4: 6.68466  Sterimol/L: 10.1285 
 
 Surface and Volume Properties
  Accessible surface: 358.612  Positive charged surface: 65.0358  Negative charged surface: 293.576  Volume: 166.75
  Hydrophobic surface: 116.482  Hydrophilic surface: 242.13
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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:  
   
Parent related molecule:


MMs00004232
ACROSORGANICS-ZINC00120066