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PUBCHEM-ZINC04238416

 MMsINC code: MMs03106076
Type: Neutral
Formula: C19H12ClFN4O
SMILES:   Clc1ccc(cc1)C1=Nc2c(ncnc2)N(Cc2ccc(F)cc2)C1=O
InChI:   InChI=1/C19H12ClFN4O/c20-14-5-3-13(4-6-14)17-19(26)25(10-12-1-7-15(21)8-2-12)18-16(24-17)9-22-11-23-18/h1-9,11H,10H2

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Potential Energy
Epot(MMFF94)=88.6153 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: 0.073448  Sterimol/B1: 3.2694  Sterimol/B2: 3.47047  Sterimol/B3: 3.9352
  Sterimol/B4: 8.36384  Sterimol/L: 15.7001 
 
 Surface and Volume Properties
  Accessible surface: 572.174  Positive charged surface: 309.9  Negative charged surface: 262.274  Volume: 316.375
  Hydrophobic surface: 479.128  Hydrophilic surface: 93.046
 
 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.