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ASINEX-ZINC03628200

 MMsINC code: MMs00289196
Type: Neutral
Formula: C14H13NO5S
SMILES:   s1cccc1C(=O)Nc1cc(OC)c(OC)cc1C(O)=O
InChI:   InChI=1/C14H13NO5S/c1-19-10-6-8(14(17)18)9(7-11(10)20-2)15-13(16)12-4-3-5-21-12/h3-7H,1-2H3,(H,15,16)(H,17,18)

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Potential Energy
Epot(MMFF94)=79.2627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.326 g/mol  logS: -3.2317  SlogP: 2.7158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0234422  Sterimol/B1: 2.52194  Sterimol/B2: 3.20117  Sterimol/B3: 5.46428
  Sterimol/B4: 6.55498  Sterimol/L: 15.8112 
 
 Surface and Volume Properties
  Accessible surface: 522.572  Positive charged surface: 331.974  Negative charged surface: 190.598  Volume: 264.625
  Hydrophobic surface: 389.796  Hydrophilic surface: 132.776
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs00289197
ASINEX-ZINC03628200