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NCID-ZINC01573231

 MMsINC code: MMs02232744
Type: Neutral
Formula: C8H8ClFO3S
SMILES:   ClCCOS(=O)(=O)c1ccc(F)cc1
InChI:   InChI=1/C8H8ClFO3S/c9-5-6-13-14(11,12)8-3-1-7(10)2-4-8/h1-4H,5-6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.357 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.666 g/mol  logS: -2.84039  SlogP: 1.7698  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.189398  Sterimol/B1: 3.77113  Sterimol/B2: 3.95716  Sterimol/B3: 4.44215
  Sterimol/B4: 4.8891  Sterimol/L: 11.3498 
 
 Surface and Volume Properties
  Accessible surface: 394.977  Positive charged surface: 164.562  Negative charged surface: 230.416  Volume: 183.625
  Hydrophobic surface: 255.568  Hydrophilic surface: 139.409
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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
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Ions/Tautomers related molecules: no related molecules available.