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CHEMBRIDGE-ZINC02889960

 MMsINC code: MMs00736406
Type: Neutral
Formula: C13H10FIN2O
SMILES:   Ic1ccc(NC(=O)Nc2ccccc2F)cc1
InChI:   InChI=1/C13H10FIN2O/c14-11-3-1-2-4-12(11)17-13(18)16-10-7-5-9(15)6-8-10/h1-8H,(H2,16,17,18)

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Potential Energy
Epot(MMFF94)=56.4145 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: 0.0369604  Sterimol/B1: 2.097  Sterimol/B2: 2.61498  Sterimol/B3: 3.60894
  Sterimol/B4: 5.21699  Sterimol/L: 16.1561 
 
 Surface and Volume Properties
  Accessible surface: 488.973  Positive charged surface: 215.942  Negative charged surface: 273.03  Volume: 246.5
  Hydrophobic surface: 432.585  Hydrophilic surface: 56.388
 
 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.