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ASINEX-ZINC00933282

 MMsINC code: MMs00225792
Type: Neutral
Formula: C23H22F2N2O4S2
SMILES:   S(=O)(=O)(NC1CC1)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)
cc1
InChI:   InChI=1/C23H22F2N2O4S2/c24-19-5-1-17(2-6-19)15-27(16-18-3-7-20(25)8-4-18)33(30,31)23-13-11-22(12-14-23)32(28,29)26-21-9-10-21/h1-8,11-14,21,26H,9-10,15-16H2

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Potential Energy
Epot(MMFF94)=52.2933 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 492.567 g/mol  logS: -5.81456  SlogP: 4.3294  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0816705  Sterimol/B1: 3.02985  Sterimol/B2: 4.25314  Sterimol/B3: 6.06427
  Sterimol/B4: 8.36817  Sterimol/L: 18.7382 
 
 Surface and Volume Properties
  Accessible surface: 700.181  Positive charged surface: 337.898  Negative charged surface: 362.284  Volume: 420.125
  Hydrophobic surface: 517.268  Hydrophilic surface: 182.913
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.