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


OAKWOOD-ZINC02511092

 MMsINC code: MMs02544053
Type: Neutral
Formula: C9H6F6S
SMILES:   S(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI:   InChI=1/C9H6F6S/c1-16-7-3-5(8(10,11)12)2-6(4-7)9(13,14)15/h2-4H,1H3

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)=51.7035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.201 g/mol  logS: -4.51938  SlogP: 5.0691  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0541312  Sterimol/B1: 2.63636  Sterimol/B2: 2.81477  Sterimol/B3: 3.27477
  Sterimol/B4: 5.93519  Sterimol/L: 11.1292 
 
 Surface and Volume Properties
  Accessible surface: 393.316  Positive charged surface: 93.1219  Negative charged surface: 300.195  Volume: 182.375
  Hydrophobic surface: 144.808  Hydrophilic surface: 248.508
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.