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


NCID-ZINC01612967

 MMsINC code: MMs02263168
Type: Neutral
Formula: C9H7F5O3S
SMILES:   S(OC(F)(F)C(F)(F)F)(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C9H7F5O3S/c1-6-2-4-7(5-3-6)18(15,16)17-9(13,14)8(10,11)12/h2-5H,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)=42.7759 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.208 g/mol  logS: -4.09634  SlogP: 3.69522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134569  Sterimol/B1: 2.9817  Sterimol/B2: 3.40102  Sterimol/B3: 4.2407
  Sterimol/B4: 5.50312  Sterimol/L: 12.6045 
 
 Surface and Volume Properties
  Accessible surface: 417.431  Positive charged surface: 127.607  Negative charged surface: 289.824  Volume: 196.25
  Hydrophobic surface: 204.239  Hydrophilic surface: 213.192
 
 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.