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CHEMDIV-ZINC00168489

 MMsINC code: MMs00835201
Type: Neutral
Formula: C13H11FN2O
SMILES:   Fc1cc(ccc1)C(=O)Nc1nccc(c1)C
InChI:   InChI=1/C13H11FN2O/c1-9-5-6-15-12(7-9)16-13(17)10-3-2-4-11(14)8-10/h2-8H,1H3,(H,15,16,17)

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Potential Energy
Epot(MMFF94)=46.7374 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: 0.00472835  Sterimol/B1: 2.26409  Sterimol/B2: 2.52524  Sterimol/B3: 3.01221
  Sterimol/B4: 5.79418  Sterimol/L: 14.7149 
 
 Surface and Volume Properties
  Accessible surface: 443.844  Positive charged surface: 254.012  Negative charged surface: 189.832  Volume: 215.5
  Hydrophobic surface: 389.894  Hydrophilic surface: 53.95
 
 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.