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ASINEX-ZINC00611670

 MMsINC code: MMs00140703
Type: Neutral
Formula: C11H7ClF3NO2S2
SMILES:   Clc1ccc(cc1NS(=O)(=O)c1sccc1)C(F)(F)F
InChI:   InChI=1/C11H7ClF3NO2S2/c12-8-4-3-7(11(13,14)15)6-9(8)16-20(17,18)10-2-1-5-19-10/h1-6,16H

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Potential Energy
Epot(MMFF94)=60.1979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.761 g/mol  logS: -4.80257  SlogP: 4.5326  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.270071  Sterimol/B1: 3.06579  Sterimol/B2: 3.43846  Sterimol/B3: 5.41731
  Sterimol/B4: 6.25421  Sterimol/L: 11.6474 
 
 Surface and Volume Properties
  Accessible surface: 462.738  Positive charged surface: 131.376  Negative charged surface: 331.362  Volume: 242.875
  Hydrophobic surface: 288.669  Hydrophilic surface: 174.069
 
 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.