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NCID-ZINC01752602

 MMsINC code: MMs02362800
Type: Neutral
Formula: C15H15FN2O2
SMILES:   Fc1ccc(NC(=O)Nc2ccc(cc2)CCO)cc1
InChI:   InChI=1/C15H15FN2O2/c16-12-3-7-14(8-4-12)18-15(20)17-13-5-1-11(2-6-13)9-10-19/h1-8,19H,9-10H2,(H2,17,18,20)

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Potential Energy
Epot(MMFF94)=56.9958 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.295 g/mol  logS: -3.37952  SlogP: 3.00447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0423803  Sterimol/B1: 2.80159  Sterimol/B2: 2.86414  Sterimol/B3: 3.36617
  Sterimol/B4: 4.90121  Sterimol/L: 17.5482 
 
 Surface and Volume Properties
  Accessible surface: 519.935  Positive charged surface: 315.6  Negative charged surface: 204.334  Volume: 258.125
  Hydrophobic surface: 403.762  Hydrophilic surface: 116.173
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.