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CHEMDIV-ZINC00029473

 MMsINC code: MMs00829301
Type: Neutral
Formula: C14H14FNO2S
SMILES:   S(=O)(=O)(NC(C)c1ccccc1)c1ccc(F)cc1
InChI:   InChI=1/C14H14FNO2S/c1-11(12-5-3-2-4-6-12)16-19(17,18)14-9-7-13(15)8-10-14/h2-11,16H,1H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=22.3937 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: 0.23847  Sterimol/B1: 2.43472  Sterimol/B2: 2.65342  Sterimol/B3: 5.08699
  Sterimol/B4: 6.69612  Sterimol/L: 11.9418 
 
 Surface and Volume Properties
  Accessible surface: 480.736  Positive charged surface: 231.756  Negative charged surface: 248.98  Volume: 251.625
  Hydrophobic surface: 392.29  Hydrophilic surface: 88.446
 
 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.