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ASINEX-ZINC00609517

 MMsINC code: MMs00140572
Type: Neutral
Formula: C12H10ClNO4S2
SMILES:   Clc1ccc(cc1NS(=O)(=O)c1sccc1)C(OC)=O
InChI:   InChI=1/C12H10ClNO4S2/c1-18-12(15)8-4-5-9(13)10(7-8)14-20(16,17)11-3-2-6-19-11/h2-7,14H,1H3

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Potential Energy
Epot(MMFF94)=60.4637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.8 g/mol  logS: -4.12775  SlogP: 2.9889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179321  Sterimol/B1: 3.46286  Sterimol/B2: 4.02156  Sterimol/B3: 4.25265
  Sterimol/B4: 6.94872  Sterimol/L: 13.467 
 
 Surface and Volume Properties
  Accessible surface: 499.109  Positive charged surface: 230.601  Negative charged surface: 268.508  Volume: 261.5
  Hydrophobic surface: 383.888  Hydrophilic surface: 115.221
 
 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.