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OTAVA-ZINC00619742

 MMsINC code: MMs02555459
Type: Neutral
Formula: C14H14FNO2S
SMILES:   S(=O)(=O)(Nc1ccccc1F)c1cc(ccc1C)C
InChI:   InChI=1/C14H14FNO2S/c1-10-7-8-11(2)14(9-10)19(17,18)16-13-6-4-3-5-12(13)15/h3-9,16H,1-2H3

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Potential Energy
Epot(MMFF94)=57.5922 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.335 g/mol  logS: -3.97609  SlogP: 3.24334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166005  Sterimol/B1: 2.26995  Sterimol/B2: 3.92707  Sterimol/B3: 4.01213
  Sterimol/B4: 7.38302  Sterimol/L: 12.5443 
 
 Surface and Volume Properties
  Accessible surface: 465.745  Positive charged surface: 230.737  Negative charged surface: 235.008  Volume: 247.875
  Hydrophobic surface: 393.131  Hydrophilic surface: 72.614
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.