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IFLAB-ZINC00254225

 MMsINC code: MMs01978054
Type: Neutral
Formula: C15H11FN2S
SMILES:   S(Cc1cc(F)ccc1)c1ncnc2c1cccc2
InChI:   InChI=1/C15H11FN2S/c16-12-5-3-4-11(8-12)9-19-15-13-6-1-2-7-14(13)17-10-18-15/h1-8,10H,9H2

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Potential Energy
Epot(MMFF94)=43.6773 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.331 g/mol  logS: -5.52996  SlogP: 4.3276  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0611588  Sterimol/B1: 2.56001  Sterimol/B2: 3.64167  Sterimol/B3: 3.83908
  Sterimol/B4: 7.20063  Sterimol/L: 15.3641 
 
 Surface and Volume Properties
  Accessible surface: 487.706  Positive charged surface: 264.131  Negative charged surface: 218.039  Volume: 246.875
  Hydrophobic surface: 396.485  Hydrophilic surface: 91.221
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.