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ASINEX-ZINC00332277

 MMsINC code: MMs00119776
Type: Neutral
Formula: C14H13ClO3S
SMILES:   Clc1ccc(S(=O)(=O)c2ccc(OCC)cc2)cc1
InChI:   InChI=1/C14H13ClO3S/c1-2-18-12-5-9-14(10-6-12)19(16,17)13-7-3-11(15)4-8-13/h3-10H,2H2,1H3

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Potential Energy
Epot(MMFF94)=58.5828 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.774 g/mol  logS: -4.46131  SlogP: 3.5715  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110329  Sterimol/B1: 3.42944  Sterimol/B2: 3.62675  Sterimol/B3: 4.98926
  Sterimol/B4: 5.43233  Sterimol/L: 15.5651 
 
 Surface and Volume Properties
  Accessible surface: 512.151  Positive charged surface: 237.455  Negative charged surface: 274.696  Volume: 258.625
  Hydrophobic surface: 424.234  Hydrophilic surface: 87.917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.