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


OAKWOOD-ZINC04299218

 MMsINC code: MMs02552809
Type: Neutral
Formula: C10H7FS
SMILES:   s1cc(cc1)-c1ccc(F)cc1
InChI:   InChI=1/C10H7FS/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7H

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)=36.1831 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.23 g/mol  logS: -3.75999  SlogP: 3.5542  Reactive groups: 0
 
 Topological Properties
  Globularity: 6.3113e-07  Sterimol/B1: 2.18376  Sterimol/B2: 2.18624  Sterimol/B3: 2.68063
  Sterimol/B4: 5.01638  Sterimol/L: 11.5965 
 
 Surface and Volume Properties
  Accessible surface: 347.393  Positive charged surface: 127.919  Negative charged surface: 219.474  Volume: 163.375
  Hydrophobic surface: 347.393  Hydrophilic surface: 0
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.