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ASINEX-ZINC04454669

 MMsINC code: MMs00338465
Type: Neutral
Formula: C14H13NO5S2
SMILES:   s1cccc1C(=O)COC(=O)CNS(=O)(=O)c1ccccc1
InChI:   InChI=1/C14H13NO5S2/c16-12(13-7-4-8-21-13)10-20-14(17)9-15-22(18,19)11-5-2-1-3-6-11/h1-8,15H,9-10H2

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Potential Energy
Epot(MMFF94)=39.5684 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.392 g/mol  logS: -3.53695  SlogP: 1.4525  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0420919  Sterimol/B1: 2.58164  Sterimol/B2: 3.04824  Sterimol/B3: 4.91557
  Sterimol/B4: 6.50622  Sterimol/L: 17.5479 
 
 Surface and Volume Properties
  Accessible surface: 565.777  Positive charged surface: 259.272  Negative charged surface: 306.505  Volume: 282.5
  Hydrophobic surface: 399.506  Hydrophilic surface: 166.271
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.