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PUBCHEM-ZINC04238432

 MMsINC code: MMs03106084
Type: Neutral
Formula: C19H12ClFN4O
SMILES:   Clc1cc(ccc1)C1=Nc2c(ncnc2)N(Cc2ccc(F)cc2)C1=O
InChI:   InChI=1/C19H12ClFN4O/c20-14-3-1-2-13(8-14)17-19(26)25(10-12-4-6-15(21)7-5-12)18-16(24-17)9-22-11-23-18/h1-9,11H,10H2

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Potential Energy
Epot(MMFF94)=86.5652 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.783 g/mol  logS: -5.86465  SlogP: 4.2031  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120089  Sterimol/B1: 2.4979  Sterimol/B2: 5.11433  Sterimol/B3: 5.40459
  Sterimol/B4: 6.24469  Sterimol/L: 14.5876 
 
 Surface and Volume Properties
  Accessible surface: 578.39  Positive charged surface: 310.723  Negative charged surface: 267.667  Volume: 316.25
  Hydrophobic surface: 488.521  Hydrophilic surface: 89.869
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.