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ASINEX-ZINC03076509

 MMsINC code: MMs00285482
Type: Neutral
Formula: C10H10FNO2S
SMILES:   S1(=O)(=O)CC(Nc2ccc(F)cc2)C=C1
InChI:   InChI=1/C10H10FNO2S/c11-8-1-3-9(4-2-8)12-10-5-6-15(13,14)7-10/h1-6,10,12H,7H2/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=34.9377 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.259 g/mol  logS: -2.0089  SlogP: 1.5483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106345  Sterimol/B1: 2.49767  Sterimol/B2: 3.38194  Sterimol/B3: 3.68051
  Sterimol/B4: 5.09227  Sterimol/L: 13.2779 
 
 Surface and Volume Properties
  Accessible surface: 398.65  Positive charged surface: 185.482  Negative charged surface: 213.168  Volume: 189.875
  Hydrophobic surface: 299.764  Hydrophilic surface: 98.886
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.