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ASINEX-ZINC06679478

 MMsINC code: MMs00443525
Type: Neutral
Formula: C9H14N2O3S2
SMILES:   s1c(C)c(S(=O)(=O)N(C)C)cc1C(=O)NC
InChI:   InChI=1/C9H14N2O3S2/c1-6-8(16(13,14)11(3)4)5-7(15-6)9(12)10-2/h5H,1-4H3,(H,10,12)

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Potential Energy
Epot(MMFF94)=23.9531 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.354 g/mol  logS: -1.56463  SlogP: 0.66642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0723551  Sterimol/B1: 2.50521  Sterimol/B2: 3.34483  Sterimol/B3: 3.90322
  Sterimol/B4: 6.3525  Sterimol/L: 14.0108 
 
 Surface and Volume Properties
  Accessible surface: 443.565  Positive charged surface: 289.147  Negative charged surface: 154.418  Volume: 223.625
  Hydrophobic surface: 335.662  Hydrophilic surface: 107.903
 
 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.