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ENAMINE-ZINC05768509

 MMsINC code: MMs01637764
Type: Neutral
Formula: C13H10Cl2FNO2S
SMILES:   Clc1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1Cl
InChI:   InChI=1/C13H10Cl2FNO2S/c14-12-6-5-11(7-13(12)15)20(18,19)17-8-9-1-3-10(16)4-2-9/h1-7,17H,8H2

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Potential Energy
Epot(MMFF94)=17.9772 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.198 g/mol  logS: -4.75432  SlogP: 3.8774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116989  Sterimol/B1: 2.9102  Sterimol/B2: 4.16715  Sterimol/B3: 5.09531
  Sterimol/B4: 5.89701  Sterimol/L: 15.4343 
 
 Surface and Volume Properties
  Accessible surface: 515.635  Positive charged surface: 186.466  Negative charged surface: 329.169  Volume: 261.75
  Hydrophobic surface: 431.221  Hydrophilic surface: 84.414
 
 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.