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ASINEX-ZINC00304081

 MMsINC code: MMs00114602
Type: Neutral
Formula: C14H14ClNO2S
SMILES:   Clc1cccc(NS(=O)(=O)Cc2ccccc2)c1C
InChI:   InChI=1/C14H14ClNO2S/c1-11-13(15)8-5-9-14(11)16-19(17,18)10-12-6-3-2-4-7-12/h2-9,16H,10H2,1H3

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Potential Energy
Epot(MMFF94)=56.0588 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.79 g/mol  logS: -3.88552  SlogP: 3.85672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0746934  Sterimol/B1: 2.05066  Sterimol/B2: 3.35668  Sterimol/B3: 4.26467
  Sterimol/B4: 6.70242  Sterimol/L: 15.0692 
 
 Surface and Volume Properties
  Accessible surface: 490.633  Positive charged surface: 231.476  Negative charged surface: 259.157  Volume: 261.5
  Hydrophobic surface: 423.019  Hydrophilic surface: 67.614
 
 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.