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


ENAMINE-ZINC03331495

 MMsINC code: MMs01377021
Type: Neutral
Formula: C11H15ClFNO2S
SMILES:   Clc1cc(F)c(S(=O)(=O)NC(CC)(C)C)cc1
InChI:   InChI=1/C11H15ClFNO2S/c1-4-11(2,3)14-17(15,16)10-6-5-8(12)7-9(10)13/h5-7,14H,4H2,1-3H3

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)=29.6201 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.763 g/mol  logS: -3.43553  SlogP: 2.946  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.230094  Sterimol/B1: 2.75309  Sterimol/B2: 3.59052  Sterimol/B3: 4.19565
  Sterimol/B4: 5.96018  Sterimol/L: 12.8828 
 
 Surface and Volume Properties
  Accessible surface: 440.834  Positive charged surface: 204.045  Negative charged surface: 236.789  Volume: 233.5
  Hydrophobic surface: 323.432  Hydrophilic surface: 117.402
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.