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ENAMINE-ZINC03332040

 MMsINC code: MMs01377358
Type: Neutral
Formula: C14H11ClFNO2S
SMILES:   Clc1cc(NS(=O)(=O)\C=C\c2ccccc2)ccc1F
InChI:   InChI=1/C14H11ClFNO2S/c15-13-10-12(6-7-14(13)16)17-20(18,19)9-8-11-4-2-1-3-5-11/h1-10,17H/b9-8+

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Potential Energy
Epot(MMFF94)=44.5846 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.764 g/mol  logS: -4.2926  SlogP: 3.8917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.208967  Sterimol/B1: 3.36225  Sterimol/B2: 4.16865  Sterimol/B3: 4.9771
  Sterimol/B4: 6.50061  Sterimol/L: 12.3219 
 
 Surface and Volume Properties
  Accessible surface: 508.284  Positive charged surface: 208.786  Negative charged surface: 299.497  Volume: 259.75
  Hydrophobic surface: 422.547  Hydrophilic surface: 85.737
 
 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.