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ASINEX-ZINC00910445

 MMsINC code: MMs00216362
Type: Neutral
Formula: C13H10FIN2O
SMILES:   Ic1ccccc1NC(=O)Nc1ccc(F)cc1
InChI:   InChI=1/C13H10FIN2O/c14-9-5-7-10(8-6-9)16-13(18)17-12-4-2-1-3-11(12)15/h1-8H,(H2,16,17,18)

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Potential Energy
Epot(MMFF94)=56.5577 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.138 g/mol  logS: -4.53855  SlogP: 4.0743  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0402826  Sterimol/B1: 2.097  Sterimol/B2: 2.47516  Sterimol/B3: 4.27668
  Sterimol/B4: 6.82779  Sterimol/L: 14.6397 
 
 Surface and Volume Properties
  Accessible surface: 479.592  Positive charged surface: 209.296  Negative charged surface: 270.297  Volume: 243.625
  Hydrophobic surface: 431.945  Hydrophilic surface: 47.647
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.