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


ASINEX-ZINC03076510

 MMsINC code: MMs00285483
Type: Neutral
Formula: C10H10FNO2S
SMILES:   S1(=O)(=O)CC(Nc2ccc(F)cc2)C=C1
InChI:   InChI=1/C10H10FNO2S/c11-8-1-3-9(4-2-8)12-10-5-6-15(13,14)7-10/h1-6,10,12H,7H2/t10-/m0/s1

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)=34.7697 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.259 g/mol  logS: -2.0089  SlogP: 1.5483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.08892  Sterimol/B1: 2.50346  Sterimol/B2: 3.06438  Sterimol/B3: 3.74467
  Sterimol/B4: 5.12221  Sterimol/L: 13.145 
 
 Surface and Volume Properties
  Accessible surface: 400.288  Positive charged surface: 185.991  Negative charged surface: 214.297  Volume: 192.375
  Hydrophobic surface: 293.944  Hydrophilic surface: 106.344
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.