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ENAMINE-ZINC03344239

 MMsINC code: MMs01385098
Type: Neutral
Formula: C16H16FNO2S
SMILES:   S(=O)(=O)(NC1CCCc2c1cccc2)c1ccc(F)cc1
InChI:   InChI=1/C16H16FNO2S/c17-13-8-10-14(11-9-13)21(19,20)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11,16,18H,3,5,7H2/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=23.3822 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.373 g/mol  logS: -4.1866  SlogP: 3.27707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.185642  Sterimol/B1: 2.44855  Sterimol/B2: 4.3538  Sterimol/B3: 4.61001
  Sterimol/B4: 7.62865  Sterimol/L: 12.4079 
 
 Surface and Volume Properties
  Accessible surface: 498.313  Positive charged surface: 262.676  Negative charged surface: 235.637  Volume: 274.375
  Hydrophobic surface: 424.266  Hydrophilic surface: 74.047
 
 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.