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


ENAMINE-ZINC05120493

 MMsINC code: MMs01589648
Type: Neutral
Formula: C10H14ClNO2S
SMILES:   Clc1ccccc1S(=O)(=O)NC(CC)C
InChI:   InChI=1/C10H14ClNO2S/c1-3-8(2)12-15(13,14)10-7-5-4-6-9(10)11/h4-8,12H,3H2,1-2H3/t8-/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)=1.77301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.746 g/mol  logS: -2.81334  SlogP: 2.4168  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180985  Sterimol/B1: 3.35297  Sterimol/B2: 3.60812  Sterimol/B3: 4.42296
  Sterimol/B4: 4.83984  Sterimol/L: 12.7179 
 
 Surface and Volume Properties
  Accessible surface: 419.467  Positive charged surface: 214.957  Negative charged surface: 204.51  Volume: 218.75
  Hydrophobic surface: 317.547  Hydrophilic surface: 101.92
 
 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.