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ASINEX-ZINC00029471

 MMsINC code: MMs00059800
Type: Neutral
Formula: C10H8FN3O2S
SMILES:   S(=O)(=O)(N(CC#N)CC#N)c1ccc(F)cc1
InChI:   InChI=1/C10H8FN3O2S/c11-9-1-3-10(4-2-9)17(15,16)14(7-5-12)8-6-13/h1-4H,7-8H2

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Potential Energy
Epot(MMFF94)=20.2606 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.257 g/mol  logS: -2.34816  SlogP: 0.863568  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156289  Sterimol/B1: 3.48064  Sterimol/B2: 3.93021  Sterimol/B3: 4.09216
  Sterimol/B4: 4.73941  Sterimol/L: 12.8173 
 
 Surface and Volume Properties
  Accessible surface: 417.595  Positive charged surface: 187.697  Negative charged surface: 229.898  Volume: 211.125
  Hydrophobic surface: 217.09  Hydrophilic surface: 200.505
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.