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


ENAMINE-ZINC02986155

 MMsINC code: MMs01288845
Type: Neutral
Formula: C10H13Cl2NO2S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)NCCCC
InChI:   InChI=1/C10H13Cl2NO2S/c1-2-3-6-13-16(14,15)10-7-8(11)4-5-9(10)12/h4-5,7,13H,2-3,6H2,1H3

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)=25.8463 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.191 g/mol  logS: -3.73564  SlogP: 3.0718  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0752753  Sterimol/B1: 3.14851  Sterimol/B2: 3.69338  Sterimol/B3: 4.46866
  Sterimol/B4: 5.42168  Sterimol/L: 14.5475 
 
 Surface and Volume Properties
  Accessible surface: 459.368  Positive charged surface: 213.71  Negative charged surface: 245.658  Volume: 231.5
  Hydrophobic surface: 353.502  Hydrophilic surface: 105.866
 
 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.