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CHEMDIV-ZINC00427280

 MMsINC code: MMs00852139
Type: Neutral
Formula: C13H12F2N2O3S2
SMILES:   s1cccc1S(=O)(=O)N(CC(=O)Nc1cc(F)c(F)cc1)C
InChI:   InChI=1/C13H12F2N2O3S2/c1-17(22(19,20)13-3-2-6-21-13)8-12(18)16-9-4-5-10(14)11(15)7-9/h2-7H,8H2,1H3,(H,16,18)

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Potential Energy
Epot(MMFF94)=66.1437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.378 g/mol  logS: -3.84984  SlogP: 2.2855  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0770918  Sterimol/B1: 2.19618  Sterimol/B2: 2.41574  Sterimol/B3: 5.10239
  Sterimol/B4: 5.97473  Sterimol/L: 17.2567 
 
 Surface and Volume Properties
  Accessible surface: 536.053  Positive charged surface: 255.083  Negative charged surface: 280.97  Volume: 277.125
  Hydrophobic surface: 444.954  Hydrophilic surface: 91.099
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.