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ASINEX-ZINC06679950

 MMsINC code: MMs00443886
Type: Neutral
Formula: C9H14N2O3S2
SMILES:   s1c(C)c(S(=O)(=O)NC(C)C)cc1C(=O)N
InChI:   InChI=1/C9H14N2O3S2/c1-5(2)11-16(13,14)8-4-7(9(10)12)15-6(8)3/h4-5,11H,1-3H3,(H2,10,12)

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Potential Energy
Epot(MMFF94)=2.81575 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.354 g/mol  logS: -2.24946  SlogP: 0.84212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180384  Sterimol/B1: 2.1756  Sterimol/B2: 3.77156  Sterimol/B3: 4.32802
  Sterimol/B4: 6.82372  Sterimol/L: 12.6325 
 
 Surface and Volume Properties
  Accessible surface: 443.211  Positive charged surface: 235.65  Negative charged surface: 207.56  Volume: 224.125
  Hydrophobic surface: 226.13  Hydrophilic surface: 217.081
 
 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.