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PUBCHEM-ZINC06379765

 MMsINC code: MMs03693109
Type: Neutral
Formula: C14H13ClFNO4S2
SMILES:   Clc1sc(S(=O)(=O)NC(Cc2ccc(F)cc2)C(OC)=O)cc1
InChI:   InChI=1/C14H13ClFNO4S2/c1-21-14(18)11(8-9-2-4-10(16)5-3-9)17-23(19,20)13-7-6-12(15)22-13/h2-7,11,17H,8H2,1H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=46.4057 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.844 g/mol  logS: -4.76594  SlogP: 2.60317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12402  Sterimol/B1: 2.46833  Sterimol/B2: 3.19814  Sterimol/B3: 4.49848
  Sterimol/B4: 8.23462  Sterimol/L: 15.4322 
 
 Surface and Volume Properties
  Accessible surface: 549.602  Positive charged surface: 250.644  Negative charged surface: 298.958  Volume: 298.875
  Hydrophobic surface: 465.232  Hydrophilic surface: 84.37
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.