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ENAMINE-ZINC02656589

MMsINC code: MMs01279373

Type: Neutral
Formula: C13H11ClFNO2S
SMILES:   Clc1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1
InChI:   InChI=1/C13H11ClFNO2S/c14-11-2-1-3-13(8-11)19(17,18)16-9-10-4-6-12(15)7-5-10/h1-8,16H,9H2

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Potential Energy
Epot(MMFF94)=11.8728 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.753 g/mol  logS: -4.02003  SlogP: 3.224  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117534  Sterimol/B1: 3.1433  Sterimol/B2: 3.49984  Sterimol/B3: 5.62112
  Sterimol/B4: 5.90577  Sterimol/L: 14.3835 
 
 Surface and Volume Properties
  Accessible surface: 493.152  Positive charged surface: 200.048  Negative charged surface: 293.104  Volume: 247.375
  Hydrophobic surface: 409.27  Hydrophilic surface: 83.882
 
 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.