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PUBCHEM-ZINC03611759

 MMsINC code: MMs03022046
Type: Neutral
Formula: C13H7Cl2F3O3S
SMILES:   Clc1cc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2)ccc1Cl
InChI:   InChI=1/C13H7Cl2F3O3S/c14-11-6-3-9(7-12(11)15)21-8-1-4-10(5-2-8)22(19,20)13(16,17)18/h1-7H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.3966 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.162 g/mol  logS: -5.91581  SlogP: 5.4991  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104757  Sterimol/B1: 3.58253  Sterimol/B2: 4.28025  Sterimol/B3: 4.28555
  Sterimol/B4: 4.35177  Sterimol/L: 15.3622 
 
 Surface and Volume Properties
  Accessible surface: 517.048  Positive charged surface: 137.619  Negative charged surface: 379.429  Volume: 266.625
  Hydrophobic surface: 355.66  Hydrophilic surface: 161.388
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.