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NCID-ZINC01737175

 MMsINC code: MMs02358247
Type: Neutral
Formula: C8H8Cl2O2S
SMILES:   Clc1ccccc1S(=O)(=O)CCCl
InChI:   InChI=1/C8H8Cl2O2S/c9-5-6-13(11,12)8-4-2-1-3-7(8)10/h1-4H,5-6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.7524 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.122 g/mol  logS: -3.02514  SlogP: 2.3525  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0899444  Sterimol/B1: 2.78079  Sterimol/B2: 3.26444  Sterimol/B3: 4.16354
  Sterimol/B4: 5.43452  Sterimol/L: 12.297 
 
 Surface and Volume Properties
  Accessible surface: 390.05  Positive charged surface: 142.314  Negative charged surface: 247.737  Volume: 187
  Hydrophobic surface: 265.92  Hydrophilic surface: 124.13
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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
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Ions/Tautomers related molecules: no related molecules available.