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CHEMBRIDGE-ZINC04841764

 MMsINC code: MMs00799007
Type: Neutral
Formula: C12H8FIN2O
SMILES:   Ic1ccc(nc1)NC(=O)c1ccc(F)cc1
InChI:   InChI=1/C12H8FIN2O/c13-9-3-1-8(2-4-9)12(17)16-11-6-5-10(14)7-15-11/h1-7H,(H,15,16,17)

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Potential Energy
Epot(MMFF94)=51.0233 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.111 g/mol  logS: -3.69449  SlogP: 3.0776  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000482961  Sterimol/B1: 2.22414  Sterimol/B2: 2.49186  Sterimol/B3: 2.50671
  Sterimol/B4: 5.1275  Sterimol/L: 16.3035 
 
 Surface and Volume Properties
  Accessible surface: 456.572  Positive charged surface: 193.274  Negative charged surface: 263.298  Volume: 227.5
  Hydrophobic surface: 404.888  Hydrophilic surface: 51.684
 
 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.