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PUBCHEM-ZINC02531713

 MMsINC code: MMs02895287
Type: Neutral
Formula: C15H7Cl2F5OS
SMILES:   Clc1cc(ccc1Cl)C(=O)CCSc1c(F)c(F)c(F)c(F)c1F
InChI:   InChI=1/C15H7Cl2F5OS/c16-7-2-1-6(5-8(7)17)9(23)3-4-24-15-13(21)11(19)10(18)12(20)14(15)22/h1-2,5H,3-4H2

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Potential Energy
Epot(MMFF94)=56.7892 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.182 g/mol  logS: -7.33093  SlogP: 6.054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0553144  Sterimol/B1: 2.49083  Sterimol/B2: 3.86779  Sterimol/B3: 3.87237
  Sterimol/B4: 6.24647  Sterimol/L: 18.2789 
 
 Surface and Volume Properties
  Accessible surface: 558.231  Positive charged surface: 178.313  Negative charged surface: 379.918  Volume: 289.375
  Hydrophobic surface: 499.23  Hydrophilic surface: 59.001
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.