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PUBCHEM-ZINC00408632

 MMsINC code: MMs02677850
Type: Neutral
Formula: C13H11FN2O
SMILES:   Fc1ccccc1C(=O)Nc1nccc(c1)C
InChI:   InChI=1/C13H11FN2O/c1-9-6-7-15-12(8-9)16-13(17)10-4-2-3-5-11(10)14/h2-8H,1H3,(H,15,16,17)

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Potential Energy
Epot(MMFF94)=50.8759 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.242 g/mol  logS: -3.17689  SlogP: 2.78142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00473541  Sterimol/B1: 2.26348  Sterimol/B2: 2.52548  Sterimol/B3: 2.79351
  Sterimol/B4: 5.78328  Sterimol/L: 14.7112 
 
 Surface and Volume Properties
  Accessible surface: 441.014  Positive charged surface: 258.498  Negative charged surface: 182.516  Volume: 215.125
  Hydrophobic surface: 389.568  Hydrophilic surface: 51.446
 
 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.