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ASINEX-ZINC06679941

 MMsINC code: MMs00443877
Type: Neutral
Formula: C12H11FN2O3S2
SMILES:   s1c(C)c(S(=O)(=O)Nc2cc(F)ccc2)cc1C(=O)N
InChI:   InChI=1/C12H11FN2O3S2/c1-7-11(6-10(19-7)12(14)16)20(17,18)15-9-4-2-3-8(13)5-9/h2-6,15H,1H3,(H2,14,16)

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Potential Energy
Epot(MMFF94)=31.0958 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.361 g/mol  logS: -3.71388  SlogP: 2.09532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.262658  Sterimol/B1: 2.09991  Sterimol/B2: 3.26048  Sterimol/B3: 5.41972
  Sterimol/B4: 7.52854  Sterimol/L: 11.6296 
 
 Surface and Volume Properties
  Accessible surface: 477.692  Positive charged surface: 213.14  Negative charged surface: 264.552  Volume: 250.125
  Hydrophobic surface: 295.116  Hydrophilic surface: 182.576
 
 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.