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ASINEX-ZINC04998634

 MMsINC code: MMs00427791
Type: Neutral
Formula: C14H16N2O4S2
SMILES:   s1cccc1S(=O)(=O)Nc1ccc(cc1)C(=O)NCCOC
InChI:   InChI=1/C14H16N2O4S2/c1-20-9-8-15-14(17)11-4-6-12(7-5-11)16-22(18,19)13-3-2-10-21-13/h2-7,10,16H,8-9H2,1H3,(H,15,17)

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Potential Energy
Epot(MMFF94)=57.1729 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.424 g/mol  logS: -3.3005  SlogP: 1.9251  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11659  Sterimol/B1: 2.56793  Sterimol/B2: 3.68673  Sterimol/B3: 4.95404
  Sterimol/B4: 6.59466  Sterimol/L: 15.6647 
 
 Surface and Volume Properties
  Accessible surface: 576.119  Positive charged surface: 335.934  Negative charged surface: 240.184  Volume: 294.625
  Hydrophobic surface: 442.311  Hydrophilic surface: 133.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.