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ASINEX-ZINC00168322

 MMsINC code: MMs00083508
Type: Neutral
Formula: C15H15NO4S
SMILES:   S(=O)(=O)(Nc1ccccc1C(OC)=O)c1ccc(cc1)C
InChI:   InChI=1/C15H15NO4S/c1-11-7-9-12(10-8-11)21(18,19)16-14-6-4-3-5-13(14)15(17)20-2/h3-10,16H,1-2H3

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Potential Energy
Epot(MMFF94)=58.4797 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.354 g/mol  logS: -3.90237  SlogP: 2.58242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.282725  Sterimol/B1: 2.40877  Sterimol/B2: 3.82381  Sterimol/B3: 6.68145
  Sterimol/B4: 7.02826  Sterimol/L: 13.0699 
 
 Surface and Volume Properties
  Accessible surface: 515.962  Positive charged surface: 308.328  Negative charged surface: 207.635  Volume: 271.875
  Hydrophobic surface: 415.724  Hydrophilic surface: 100.238
 
 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.