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


ACROSORGANICS-ZINC02566542

 MMsINC code: MMs00014436
Type: Neutral
Formula: C7H7ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)NC(=O)N)cc1
InChI:   InChI=1/C7H7ClN2O3S/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11/h1-4H,(H3,9,10,11)

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)=-39.7483 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.663 g/mol  logS: -2.49156  SlogP: 0.697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173969  Sterimol/B1: 2.7999  Sterimol/B2: 3.08274  Sterimol/B3: 4.44322
  Sterimol/B4: 5.03729  Sterimol/L: 11.8498 
 
 Surface and Volume Properties
  Accessible surface: 382.483  Positive charged surface: 164.402  Negative charged surface: 218.081  Volume: 177
  Hydrophobic surface: 198.773  Hydrophilic surface: 183.71
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.