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PUBCHEM-ZINC02858870

 MMsINC code: MMs02942932
Type: Neutral
Formula: C17H14ClF3N2O3
SMILES:   Clc1ccc(NC(=O)Nc2ccc(cc2)C(OCC)=O)cc1C(F)(F)F
InChI:   InChI=1/C17H14ClF3N2O3/c1-2-26-15(24)10-3-5-11(6-4-10)22-16(25)23-12-7-8-14(18)13(9-12)17(19,20)21/h3-9H,2H2,1H3,(H2,22,23,25)

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Potential Energy
Epot(MMFF94)=73.3963 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.757 g/mol  logS: -5.75183  SlogP: 5.491  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0282601  Sterimol/B1: 2.78744  Sterimol/B2: 3.67028  Sterimol/B3: 3.85595
  Sterimol/B4: 4.4461  Sterimol/L: 20.5675 
 
 Surface and Volume Properties
  Accessible surface: 620.846  Positive charged surface: 300.225  Negative charged surface: 320.621  Volume: 315.5
  Hydrophobic surface: 402.983  Hydrophilic surface: 217.863
 
 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.