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


OAKWOOD-ZINC04716461

 MMsINC code: MMs02553357
Type: Neutral
Formula: C12H3F7O3S
SMILES:   S(Oc1c(F)c(F)c(F)c(F)c1F)(=O)(=O)c1cc(F)c(F)cc1
InChI:   InChI=1/C12H3F7O3S/c13-5-2-1-4(3-6(5)14)23(20,21)22-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H

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)=61.1799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.205 g/mol  logS: -5.54707  SlogP: 3.428  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103152  Sterimol/B1: 2.68245  Sterimol/B2: 3.77826  Sterimol/B3: 4.10306
  Sterimol/B4: 5.28888  Sterimol/L: 12.3531 
 
 Surface and Volume Properties
  Accessible surface: 435.182  Positive charged surface: 118.944  Negative charged surface: 316.238  Volume: 226.5
  Hydrophobic surface: 365.796  Hydrophilic surface: 69.386
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.