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ENAMINE-ZINC06588888

 MMsINC code: MMs01679896
Type: Neutral
Formula: C9H8F3NO2S
SMILES:   S(=O)(=O)(NC1CC1)c1ccc(F)c(F)c1F
InChI:   InChI=1/C9H8F3NO2S/c10-6-3-4-7(9(12)8(6)11)16(14,15)13-5-1-2-5/h3-5,13H,1-2H2

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Potential Energy
Epot(MMFF94)=7.97408 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.228 g/mol  logS: -2.66018  SlogP: 1.5446  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.225015  Sterimol/B1: 2.32412  Sterimol/B2: 3.80646  Sterimol/B3: 4.40175
  Sterimol/B4: 5.49703  Sterimol/L: 11.6095 
 
 Surface and Volume Properties
  Accessible surface: 405.943  Positive charged surface: 181.36  Negative charged surface: 224.583  Volume: 189.375
  Hydrophobic surface: 286.225  Hydrophilic surface: 119.718
 
 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.