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ENAMINE-ZINC06879495

 MMsINC code: MMs01708390
Type: Neutral
Formula: C14H14ClFN2O2
SMILES:   Clc1cc(F)c(NC(=O)CCc2c(noc2C)C)cc1
InChI:   InChI=1/C14H14ClFN2O2/c1-8-11(9(2)20-18-8)4-6-14(19)17-13-5-3-10(15)7-12(13)16/h3,5,7H,4,6H2,1-2H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=57.493 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.729 g/mol  logS: -3.60066  SlogP: 3.65521  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0708644  Sterimol/B1: 2.04007  Sterimol/B2: 3.07876  Sterimol/B3: 3.7743
  Sterimol/B4: 6.99109  Sterimol/L: 16.3859 
 
 Surface and Volume Properties
  Accessible surface: 520.856  Positive charged surface: 251.987  Negative charged surface: 268.869  Volume: 262.375
  Hydrophobic surface: 453.627  Hydrophilic surface: 67.229
 
 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.