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ASINEX-ZINC00469492

 MMsINC code: MMs00136264
Type: Neutral
Formula: C10H7ClFNO2S2
SMILES:   Clc1sc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChI:   InChI=1/C10H7ClFNO2S2/c11-9-5-6-10(16-9)17(14,15)13-8-3-1-7(12)2-4-8/h1-6,13H

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Potential Energy
Epot(MMFF94)=34.094 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.754 g/mol  logS: -4.35226  SlogP: 3.3414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.269357  Sterimol/B1: 2.49571  Sterimol/B2: 4.43848  Sterimol/B3: 4.88519
  Sterimol/B4: 5.08702  Sterimol/L: 12.0848 
 
 Surface and Volume Properties
  Accessible surface: 443.849  Positive charged surface: 152.378  Negative charged surface: 291.471  Volume: 218.375
  Hydrophobic surface: 360.473  Hydrophilic surface: 83.376
 
 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.