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PUBCHEM-ZINC02562081

 MMsINC code: MMs02901452
Type: Neutral
Formula: C19H13ClF3N3O2
SMILES:   Clc1cc(cnc1Oc1ccc(NC(=O)Nc2ccccc2)cc1)C(F)(F)F
InChI:   InChI=1/C19H13ClF3N3O2/c20-16-10-12(19(21,22)23)11-24-17(16)28-15-8-6-14(7-9-15)26-18(27)25-13-4-2-1-3-5-13/h1-11H,(H2,25,26,27)

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Potential Energy
Epot(MMFF94)=97.5009 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.779 g/mol  logS: -5.87872  SlogP: 6.5016  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0388753  Sterimol/B1: 2.52987  Sterimol/B2: 4.49774  Sterimol/B3: 4.67459
  Sterimol/B4: 5.02064  Sterimol/L: 19.9193 
 
 Surface and Volume Properties
  Accessible surface: 646.56  Positive charged surface: 297.179  Negative charged surface: 349.381  Volume: 335.375
  Hydrophobic surface: 476.171  Hydrophilic surface: 170.389
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.