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ASINEX-ZINC00083469

 MMsINC code: MMs00071695
Type: Neutral
Formula: C15H15NO4S
SMILES:   S(=O)(=O)(NC(C(O)=O)c1ccccc1)c1ccc(cc1)C
InChI:   InChI=1/C15H15NO4S/c1-11-7-9-13(10-8-11)21(19,20)16-14(15(17)18)12-5-3-2-4-6-12/h2-10,14,16H,1H3,(H,17,18)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=41.8608 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.354 g/mol  logS: -3.46052  SlogP: 2.19472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.20404  Sterimol/B1: 3.50966  Sterimol/B2: 3.59809  Sterimol/B3: 4.54564
  Sterimol/B4: 6.65806  Sterimol/L: 13.0385 
 
 Surface and Volume Properties
  Accessible surface: 521.37  Positive charged surface: 263.975  Negative charged surface: 257.395  Volume: 273.125
  Hydrophobic surface: 371.793  Hydrophilic surface: 149.577
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00071696
ASINEX-ZINC00083469