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CHEMSTAR-ZINC04544714

 MMsINC code: MMs01116298
Type: Neutral
Formula: C19H14ClFN2O2
SMILES:   Clc1cccc(F)c1\C=N/NC(=O)COc1cc2c(cc1)cccc2
InChI:   InChI=1/C19H14ClFN2O2/c20-17-6-3-7-18(21)16(17)11-22-23-19(24)12-25-15-9-8-13-4-1-2-5-14(13)10-15/h1-11H,12H2,(H,23,24)/b22-11-

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Potential Energy
Epot(MMFF94)=113.043 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.784 g/mol  logS: -6.52212  SlogP: 4.1614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0237005  Sterimol/B1: 3.63769  Sterimol/B2: 3.67183  Sterimol/B3: 3.98727
  Sterimol/B4: 5.8705  Sterimol/L: 18.1625 
 
 Surface and Volume Properties
  Accessible surface: 599.777  Positive charged surface: 287.298  Negative charged surface: 302.822  Volume: 315.625
  Hydrophobic surface: 515.319  Hydrophilic surface: 84.458
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.