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CHEMBRIDGE-ZINC00142179

 MMsINC code: MMs00591123
Type: Neutral
Formula: C11H9FN2OS
SMILES:   S(Cc1ccc(F)cc1)C=1NC(=O)C=CN=1
InChI:   InChI=1/C11H9FN2OS/c12-9-3-1-8(2-4-9)7-16-11-13-6-5-10(15)14-11/h1-6H,7H2,(H,13,14,15)

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Potential Energy
Epot(MMFF94)=2.65086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.27 g/mol  logS: -3.77732  SlogP: 2.3248  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0786434  Sterimol/B1: 2.42263  Sterimol/B2: 3.72033  Sterimol/B3: 3.77017
  Sterimol/B4: 4.81699  Sterimol/L: 14.6161 
 
 Surface and Volume Properties
  Accessible surface: 433.938  Positive charged surface: 239.009  Negative charged surface: 194.93  Volume: 206.5
  Hydrophobic surface: 303.856  Hydrophilic surface: 130.082
 
 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.