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CHEMBRIDGE-ZINC00455378

 MMsINC code: MMs00620544
Type: Neutral
Formula: C16H14ClF2NO2
SMILES:   Clc1ccc(OC(C(=O)Nc2cc(F)c(F)cc2)(C)C)cc1
InChI:   InChI=1/C16H14ClF2NO2/c1-16(2,22-12-6-3-10(17)4-7-12)15(21)20-11-5-8-13(18)14(19)9-11/h3-9H,1-2H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.092 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.742 g/mol  logS: -5.41036  SlogP: 4.4143  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159174  Sterimol/B1: 1.99676  Sterimol/B2: 3.38118  Sterimol/B3: 5.03968
  Sterimol/B4: 8.07282  Sterimol/L: 13.5966 
 
 Surface and Volume Properties
  Accessible surface: 527.478  Positive charged surface: 240.435  Negative charged surface: 287.043  Volume: 278
  Hydrophobic surface: 472.707  Hydrophilic surface: 54.771
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.