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ASINEX-ZINC00182817

 MMsINC code: MMs00086788
Type: Neutral
Formula: C15H15NO4S
SMILES:   S(=O)(=O)(N(CC(O)=O)c1ccc(cc1)C)c1ccccc1
InChI:   InChI=1/C15H15NO4S/c1-12-7-9-13(10-8-12)16(11-15(17)18)21(19,20)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=58.8205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.354 g/mol  logS: -3.59206  SlogP: 2.27492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136868  Sterimol/B1: 3.31275  Sterimol/B2: 3.4339  Sterimol/B3: 4.45415
  Sterimol/B4: 8.44821  Sterimol/L: 13.8441 
 
 Surface and Volume Properties
  Accessible surface: 515.842  Positive charged surface: 280.429  Negative charged surface: 235.414  Volume: 275.25
  Hydrophobic surface: 377.104  Hydrophilic surface: 138.738
 
 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


MMs00086789
ASINEX-ZINC00182817