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IFLAB-ZINC05240999

 MMsINC code: MMs02080978
Type: Neutral
Formula: C15H15NO5S2
SMILES:   s1ccc(C(OC)=O)c1NC(=O)c1ccccc1S(=O)(=O)CC
InChI:   InChI=1/C15H15NO5S2/c1-3-23(19,20)12-7-5-4-6-10(12)13(17)16-14-11(8-9-22-14)15(18)21-2/h4-9H,3H2,1-2H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=86.9595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.419 g/mol  logS: -4.16951  SlogP: 2.5806  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0368003  Sterimol/B1: 2.46677  Sterimol/B2: 2.96498  Sterimol/B3: 4.2865
  Sterimol/B4: 8.86064  Sterimol/L: 15.077 
 
 Surface and Volume Properties
  Accessible surface: 547.589  Positive charged surface: 308.122  Negative charged surface: 239.467  Volume: 298.375
  Hydrophobic surface: 433.669  Hydrophilic surface: 113.92
 
 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.