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PUBCHEM-ZINC05357180

 MMsINC code: MMs03247385
Type: Neutral
Formula: C11H14F3N
SMILES:   FC(F)(F)c1ccc(cc1)CC(N)(C)C
InChI:   InChI=1/C11H14F3N/c1-10(2,15)7-8-3-5-9(6-4-8)11(12,13)14/h3-6H,7,15H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.6362 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.234 g/mol  logS: -2.82224  SlogP: 3.29667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12646  Sterimol/B1: 2.37212  Sterimol/B2: 2.48669  Sterimol/B3: 4.23006
  Sterimol/B4: 4.85538  Sterimol/L: 12.176 
 
 Surface and Volume Properties
  Accessible surface: 398.431  Positive charged surface: 197.086  Negative charged surface: 201.345  Volume: 196.75
  Hydrophobic surface: 211.182  Hydrophilic surface: 187.249
 
 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


MMs03247386
PUBCHEM-ZINC05357180