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


NCID-ZINC01711116

 MMsINC code: MMs02338222
Type: Neutral
Formula: C9H11Cl2NO2S
SMILES:   ClC(CNS(=O)(=O)c1ccccc1)CCl
InChI:   InChI=1/C9H11Cl2NO2S/c10-6-8(11)7-12-15(13,14)9-4-2-1-3-5-9/h1-5,8,12H,6-7H2/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)=13.2386 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.164 g/mol  logS: -2.75342  SlogP: 2.231  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.139687  Sterimol/B1: 2.89184  Sterimol/B2: 3.60696  Sterimol/B3: 4.71511
  Sterimol/B4: 5.90405  Sterimol/L: 13.3007 
 
 Surface and Volume Properties
  Accessible surface: 445.667  Positive charged surface: 182.192  Negative charged surface: 263.476  Volume: 216.5
  Hydrophobic surface: 250.486  Hydrophilic surface: 195.181
 
 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.