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ASINEX-ZINC00114565

 MMsINC code: MMs00077032
Type: Neutral
Formula: C15H14FNO2S2
SMILES:   S1CCN(S(=O)(=O)c2ccc(F)cc2)C1c1ccccc1
InChI:   InChI=1/C15H14FNO2S2/c16-13-6-8-14(9-7-13)21(18,19)17-10-11-20-15(17)12-4-2-1-3-5-12/h1-9,15H,10-11H2/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=35.643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.412 g/mol  logS: -4.38277  SlogP: 3.3575  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15066  Sterimol/B1: 3.36409  Sterimol/B2: 3.59351  Sterimol/B3: 4.88974
  Sterimol/B4: 6.58533  Sterimol/L: 14.2934 
 
 Surface and Volume Properties
  Accessible surface: 505.663  Positive charged surface: 252.543  Negative charged surface: 253.12  Volume: 279.25
  Hydrophobic surface: 423.71  Hydrophilic surface: 81.953
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.