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CHEMBRIDGE-ZINC04303387

 MMsINC code: MMs00767750
Type: Neutral
Formula: C12H9Cl2FN2OS
SMILES:   ClC(Cl)C(=O)Nc1sc(cn1)Cc1ccc(F)cc1
InChI:   InChI=1/C12H9Cl2FN2OS/c13-10(14)11(18)17-12-16-6-9(19-12)5-7-1-3-8(15)4-2-7/h1-4,6,10H,5H2,(H,16,17,18)

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Potential Energy
Epot(MMFF94)=53.6612 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.187 g/mol  logS: -4.72046  SlogP: 4.03507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104073  Sterimol/B1: 2.8792  Sterimol/B2: 3.62041  Sterimol/B3: 4.69596
  Sterimol/B4: 4.83926  Sterimol/L: 15.2785 
 
 Surface and Volume Properties
  Accessible surface: 503.606  Positive charged surface: 212.095  Negative charged surface: 291.511  Volume: 254.375
  Hydrophobic surface: 312.9  Hydrophilic surface: 190.706
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.