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PUBCHEM-ZINC00140458

 MMsINC code: MMs02635347
Type: Neutral
Formula: C16H15ClFNO2S
SMILES:   Clc1ccc(S(=O)(=O)N2CCCC2c2ccc(F)cc2)cc1
InChI:   InChI=1/C16H15ClFNO2S/c17-13-5-9-15(10-6-13)22(20,21)19-11-1-2-16(19)12-3-7-14(18)8-4-12/h3-10,16H,1-2,11H2/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=49.8133 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.818 g/mol  logS: -4.64799  SlogP: 4.1004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202368  Sterimol/B1: 3.26427  Sterimol/B2: 3.91105  Sterimol/B3: 3.99838
  Sterimol/B4: 7.43489  Sterimol/L: 13.0347 
 
 Surface and Volume Properties
  Accessible surface: 482.862  Positive charged surface: 232.979  Negative charged surface: 249.883  Volume: 288.5
  Hydrophobic surface: 427.017  Hydrophilic surface: 55.845
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.