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IFLAB-ZINC04173485

 MMsINC code: MMs02025150
Type: Neutral
Formula: C11H6Cl2FNOS
SMILES:   Clc1sc(Cl)cc1C(=O)Nc1ccc(F)cc1
InChI:   InChI=1/C11H6Cl2FNOS/c12-9-5-8(10(13)17-9)11(16)15-7-3-1-6(14)2-4-7/h1-5H,(H,15,16)

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Potential Energy
Epot(MMFF94)=42.0946 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.145 g/mol  logS: -5.3947  SlogP: 4.4463  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0228143  Sterimol/B1: 2.26753  Sterimol/B2: 3.39752  Sterimol/B3: 4.12021
  Sterimol/B4: 5.03586  Sterimol/L: 14.3098 
 
 Surface and Volume Properties
  Accessible surface: 452.359  Positive charged surface: 136.631  Negative charged surface: 315.728  Volume: 222.75
  Hydrophobic surface: 422.454  Hydrophilic surface: 29.905
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.