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PUBCHEM-ZINC04238369

 MMsINC code: MMs03106044
Type: Neutral
Formula: C19H12ClFN4O2
SMILES:   Clc1cc(Oc2nc3N(Cc4ccc(F)cc4)C(=O)C=Nc3cn2)ccc1
InChI:   InChI=1/C19H12ClFN4O2/c20-13-2-1-3-15(8-13)27-19-23-9-16-18(24-19)25(17(26)10-22-16)11-12-4-6-14(21)7-5-12/h1-10H,11H2

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Potential Energy
Epot(MMFF94)=80.5838 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.782 g/mol  logS: -6.1824  SlogP: 4.5769  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0904819  Sterimol/B1: 2.49226  Sterimol/B2: 4.31769  Sterimol/B3: 5.2192
  Sterimol/B4: 6.80184  Sterimol/L: 16.5367 
 
 Surface and Volume Properties
  Accessible surface: 596.686  Positive charged surface: 320.807  Negative charged surface: 275.88  Volume: 326.375
  Hydrophobic surface: 496.679  Hydrophilic surface: 100.007
 
 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.