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CHEMBRIDGE-ZINC02276990

 MMsINC code: MMs00705897
Type: Neutral
Formula: C13H13ClF6N2O2
SMILES:   Clc1cc(NC(NC(=O)CC)(C(F)(F)F)C(F)(F)F)c(OC)cc1
InChI:   InChI=1/C13H13ClF6N2O2/c1-3-10(23)22-11(12(15,16)17,13(18,19)20)21-8-6-7(14)4-5-9(8)24-2/h4-6,21H,3H2,1-2H3,(H,22,23)

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Potential Energy
Epot(MMFF94)=139.377 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.7 g/mol  logS: -4.56965  SlogP: 4.9474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.349474  Sterimol/B1: 2.36353  Sterimol/B2: 2.63547  Sterimol/B3: 6.85689
  Sterimol/B4: 7.96411  Sterimol/L: 11.5243 
 
 Surface and Volume Properties
  Accessible surface: 512.4  Positive charged surface: 233.423  Negative charged surface: 278.978  Volume: 275.625
  Hydrophobic surface: 307.89  Hydrophilic surface: 204.51
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.