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ASINEX-ZINC04970375

 MMsINC code: MMs00418554
Type: Neutral
Formula: C12H11NO4S2
SMILES:   s1cccc1S(=O)(=O)Nc1cc(ccc1)C(OC)=O
InChI:   InChI=1/C12H11NO4S2/c1-17-12(14)9-4-2-5-10(8-9)13-19(15,16)11-6-3-7-18-11/h2-8,13H,1H3

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Potential Energy
Epot(MMFF94)=51.1328 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.355 g/mol  logS: -3.39346  SlogP: 2.3355  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148096  Sterimol/B1: 3.48539  Sterimol/B2: 3.49958  Sterimol/B3: 4.09092
  Sterimol/B4: 5.63385  Sterimol/L: 13.2564 
 
 Surface and Volume Properties
  Accessible surface: 488.864  Positive charged surface: 260.188  Negative charged surface: 228.676  Volume: 247.25
  Hydrophobic surface: 366.271  Hydrophilic surface: 122.593
 
 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.