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ENAMINE-ZINC03335151

 MMsINC code: MMs01379319
Type: Neutral
Formula: C14H14FNO2S
SMILES:   S(=O)(=O)(NC(C)c1ccccc1)c1ccccc1F
InChI:   InChI=1/C14H14FNO2S/c1-11(12-7-3-2-4-8-12)16-19(17,18)14-10-6-5-9-13(14)15/h2-11,16H,1H3/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=29.1807 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.335 g/mol  logS: -3.61295  SlogP: 2.9607  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0856272  Sterimol/B1: 2.35336  Sterimol/B2: 3.25045  Sterimol/B3: 5.41078
  Sterimol/B4: 5.43855  Sterimol/L: 14.5222 
 
 Surface and Volume Properties
  Accessible surface: 473.313  Positive charged surface: 228.709  Negative charged surface: 244.604  Volume: 248.25
  Hydrophobic surface: 381.39  Hydrophilic surface: 91.923
 
 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.