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


ENAMINE-ZINC02657334

 MMsINC code: MMs01279863
Type: Neutral
Formula: C13H10Cl2FNO2S
SMILES:   Clc1cccc(Cl)c1S(=O)(=O)NCc1ccccc1F
InChI:   InChI=1/C13H10Cl2FNO2S/c14-10-5-3-6-11(15)13(10)20(18,19)17-8-9-4-1-2-7-12(9)16/h1-7,17H,8H2

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)=23.6681 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.198 g/mol  logS: -4.75432  SlogP: 3.8774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121513  Sterimol/B1: 3.69166  Sterimol/B2: 3.8318  Sterimol/B3: 4.80607
  Sterimol/B4: 4.89341  Sterimol/L: 14.0948 
 
 Surface and Volume Properties
  Accessible surface: 494.676  Positive charged surface: 191.239  Negative charged surface: 303.437  Volume: 263
  Hydrophobic surface: 427.02  Hydrophilic surface: 67.656
 
 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.