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CHEMBRIDGE-ZINC04866568

 MMsINC code: MMs00805406
Type: Neutral
Formula: C13H15F4NO
SMILES:   Fc1ccc(cc1NC(=O)CC(C)(C)C)C(F)(F)F
InChI:   InChI=1/C13H15F4NO/c1-12(2,3)7-11(19)18-10-6-8(13(15,16)17)4-5-9(10)14/h4-6H,7H2,1-3H3,(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.6153 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.261 g/mol  logS: -4.69329  SlogP: 4.5307  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0728388  Sterimol/B1: 2.55635  Sterimol/B2: 2.92339  Sterimol/B3: 4.28979
  Sterimol/B4: 6.21644  Sterimol/L: 13.4351 
 
 Surface and Volume Properties
  Accessible surface: 472.152  Positive charged surface: 232.475  Negative charged surface: 239.677  Volume: 237.5
  Hydrophobic surface: 288.484  Hydrophilic surface: 183.668
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.