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ENAMINE-ZINC05699823

 MMsINC code: MMs01635276
Type: Neutral
Formula: C9H9F2NO2S
SMILES:   S(=O)(=O)(NC1CC1)c1cc(F)c(F)cc1
InChI:   InChI=1/C9H9F2NO2S/c10-8-4-3-7(5-9(8)11)15(13,14)12-6-1-2-6/h3-6,12H,1-2H2

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Potential Energy
Epot(MMFF94)=14.9443 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.238 g/mol  logS: -2.3652  SlogP: 1.4055  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17714  Sterimol/B1: 3.10273  Sterimol/B2: 3.49261  Sterimol/B3: 4.6521
  Sterimol/B4: 5.22184  Sterimol/L: 11.5866 
 
 Surface and Volume Properties
  Accessible surface: 399.234  Positive charged surface: 185.814  Negative charged surface: 213.42  Volume: 187.5
  Hydrophobic surface: 276.742  Hydrophilic surface: 122.492
 
 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.