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PUBCHEM-ZINC00398282

 MMsINC code: MMs02674640
Type: Neutral
Formula: C13H9ClFNO2
SMILES:   Clc1cc(NC(Oc2ccc(F)cc2)=O)ccc1
InChI:   InChI=1/C13H9ClFNO2/c14-9-2-1-3-11(8-9)16-13(17)18-12-6-4-10(15)5-7-12/h1-8H,(H,16,17)

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Potential Energy
Epot(MMFF94)=55.0788 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.671 g/mol  logS: -4.42539  SlogP: 4.09  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0459527  Sterimol/B1: 2.77863  Sterimol/B2: 3.12431  Sterimol/B3: 3.36499
  Sterimol/B4: 5.89015  Sterimol/L: 14.4697 
 
 Surface and Volume Properties
  Accessible surface: 470.441  Positive charged surface: 210.523  Negative charged surface: 259.918  Volume: 227.5
  Hydrophobic surface: 415.939  Hydrophilic surface: 54.502
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.