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CHEMBRIDGE-ZINC00627871

 MMsINC code: MMs00636802
Type: Neutral
Formula: C17H15ClF3NO2
SMILES:   Clc1ccc(OC(C(=O)Nc2cc(ccc2)C(F)(F)F)(C)C)cc1
InChI:   InChI=1/C17H15ClF3NO2/c1-16(2,24-14-8-6-12(18)7-9-14)15(23)22-13-5-3-4-11(10-13)17(19,20)21/h3-10H,1-2H3,(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=139.141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.759 g/mol  logS: -5.87695  SlogP: 5.4664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14808  Sterimol/B1: 2.44188  Sterimol/B2: 3.45789  Sterimol/B3: 5.74183
  Sterimol/B4: 8.18957  Sterimol/L: 14.5868 
 
 Surface and Volume Properties
  Accessible surface: 561.854  Positive charged surface: 231.007  Negative charged surface: 330.847  Volume: 299.25
  Hydrophobic surface: 403.297  Hydrophilic surface: 158.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.