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ASINEX-ZINC00304164

 MMsINC code: MMs00114621
Type: Neutral
Formula: C13H11ClFNO2S
SMILES:   Clc1cc(NS(=O)(=O)Cc2ccccc2)ccc1F
InChI:   InChI=1/C13H11ClFNO2S/c14-12-8-11(6-7-13(12)15)16-19(17,18)9-10-4-2-1-3-5-10/h1-8,16H,9H2

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Potential Energy
Epot(MMFF94)=42.9135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.753 g/mol  logS: -4.02003  SlogP: 3.6874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113716  Sterimol/B1: 3.51518  Sterimol/B2: 3.83307  Sterimol/B3: 3.9315
  Sterimol/B4: 4.61218  Sterimol/L: 14.0853 
 
 Surface and Volume Properties
  Accessible surface: 485.436  Positive charged surface: 214.171  Negative charged surface: 271.265  Volume: 248.625
  Hydrophobic surface: 408.848  Hydrophilic surface: 76.588
 
 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.