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KEYORGANICS-ZINC01389692

 MMsINC code: MMs02098729
Type: Neutral
Formula: C10H9F3O2S
SMILES:   S(=O)(=O)(CCC(F)=C(F)F)c1ccccc1
InChI:   InChI=1/C10H9F3O2S/c11-9(10(12)13)6-7-16(14,15)8-4-2-1-3-5-8/h1-5H,6-7H2

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Potential Energy
Epot(MMFF94)=24.2703 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.24 g/mol  logS: -3.07144  SlogP: 3.1458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107348  Sterimol/B1: 2.55704  Sterimol/B2: 3.54117  Sterimol/B3: 3.99142
  Sterimol/B4: 4.74838  Sterimol/L: 13.0667 
 
 Surface and Volume Properties
  Accessible surface: 421.599  Positive charged surface: 173.217  Negative charged surface: 248.382  Volume: 194.875
  Hydrophobic surface: 343.786  Hydrophilic surface: 77.813
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.