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CHEMBRIDGE-ZINC00476874

 MMsINC code: MMs00629595
Type: Neutral
Formula: C11H7ClFNO2
SMILES:   Clc1cc(F)c(NC(=O)c2occc2)cc1
InChI:   InChI=1/C11H7ClFNO2/c12-7-3-4-9(8(13)6-7)14-11(15)10-2-1-5-16-10/h1-6H,(H,14,15)

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Potential Energy
Epot(MMFF94)=44.1716 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.633 g/mol  logS: -4.13571  SlogP: 3.3244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0135298  Sterimol/B1: 2.28012  Sterimol/B2: 2.66622  Sterimol/B3: 3.42259
  Sterimol/B4: 4.34993  Sterimol/L: 14.8477 
 
 Surface and Volume Properties
  Accessible surface: 422.395  Positive charged surface: 170.58  Negative charged surface: 251.815  Volume: 197.75
  Hydrophobic surface: 371.208  Hydrophilic surface: 51.187
 
 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.