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ENAMINE-ZINC03368427

 MMsINC code: MMs01400127
Type: Neutral
Formula: C13H8ClF4NO2S
SMILES:   Clc1ccc(cc1S(=O)(=O)Nc1ccccc1F)C(F)(F)F
InChI:   InChI=1/C13H8ClF4NO2S/c14-9-6-5-8(13(16,17)18)7-12(9)22(20,21)19-11-4-2-1-3-10(11)15/h1-7,19H

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Potential Energy
Epot(MMFF94)=59.5803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.723 g/mol  logS: -5.13254  SlogP: 4.6102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151068  Sterimol/B1: 2.61527  Sterimol/B2: 3.48578  Sterimol/B3: 4.65602
  Sterimol/B4: 7.09258  Sterimol/L: 12.6657 
 
 Surface and Volume Properties
  Accessible surface: 478.078  Positive charged surface: 144.942  Negative charged surface: 333.136  Volume: 253.875
  Hydrophobic surface: 305.867  Hydrophilic surface: 172.211
 
 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.