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PUBCHEM-ZINC00082484

 MMsINC code: MMs02632029
Type: Neutral
Formula: C11H9ClFNO2S2
SMILES:   Clc1ccsc1CNS(=O)(=O)c1ccc(F)cc1
InChI:   InChI=1/C11H9ClFNO2S2/c12-10-5-6-17-11(10)7-14-18(15,16)9-3-1-8(13)2-4-9/h1-6,14H,7H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.37223 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.781 g/mol  logS: -3.8267  SlogP: 3.2855  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127509  Sterimol/B1: 2.78038  Sterimol/B2: 3.56796  Sterimol/B3: 4.85799
  Sterimol/B4: 5.40514  Sterimol/L: 14.1835 
 
 Surface and Volume Properties
  Accessible surface: 468.472  Positive charged surface: 166.449  Negative charged surface: 302.023  Volume: 239.25
  Hydrophobic surface: 385.083  Hydrophilic surface: 83.389
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.