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ASINEX-ZINC04439791

 MMsINC code: MMs00336196
Type: Neutral
Formula: C11H12FN3O3S3
SMILES:   s1c(nnc1SCCOC)NS(=O)(=O)c1ccc(F)cc1
InChI:   InChI=1/C11H12FN3O3S3/c1-18-6-7-19-11-14-13-10(20-11)15-21(16,17)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,15)

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Potential Energy
Epot(MMFF94)=11.7848 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.431 g/mol  logS: -5.04569  SlogP: 2.2165  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0411992  Sterimol/B1: 3.71903  Sterimol/B2: 3.73119  Sterimol/B3: 4.34874
  Sterimol/B4: 6.02771  Sterimol/L: 16.1139 
 
 Surface and Volume Properties
  Accessible surface: 552.845  Positive charged surface: 289.138  Negative charged surface: 263.706  Volume: 276.25
  Hydrophobic surface: 387.709  Hydrophilic surface: 165.136
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.