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ASINEX-ZINC06681503

 MMsINC code: MMs00444962
Type: Neutral
Formula: C11H9FN2O3S2
SMILES:   s1cc(S(=O)(=O)Nc2cc(F)ccc2)cc1C(=O)N
InChI:   InChI=1/C11H9FN2O3S2/c12-7-2-1-3-8(4-7)14-19(16,17)9-5-10(11(13)15)18-6-9/h1-6,14H,(H2,13,15)

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Potential Energy
Epot(MMFF94)=25.0085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.334 g/mol  logS: -3.40049  SlogP: 1.7869  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.217188  Sterimol/B1: 2.44172  Sterimol/B2: 3.28965  Sterimol/B3: 5.39331
  Sterimol/B4: 6.96546  Sterimol/L: 11.2405 
 
 Surface and Volume Properties
  Accessible surface: 455.658  Positive charged surface: 195.129  Negative charged surface: 260.529  Volume: 233.375
  Hydrophobic surface: 268.48  Hydrophilic surface: 187.178
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.