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PUBCHEM-ZINC05357261

 MMsINC code: MMs03247422
Type: Neutral
Formula: C11H14F3N
SMILES:   FC(F)(F)c1cc(ccc1)CC(N)(C)C
InChI:   InChI=1/C11H14F3N/c1-10(2,15)7-8-4-3-5-9(6-8)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)=51.2418 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: 0.140046  Sterimol/B1: 2.32682  Sterimol/B2: 3.70774  Sterimol/B3: 4.27941
  Sterimol/B4: 4.72542  Sterimol/L: 11.5778 
 
 Surface and Volume Properties
  Accessible surface: 392.907  Positive charged surface: 194.464  Negative charged surface: 198.443  Volume: 197.25
  Hydrophobic surface: 209.824  Hydrophilic surface: 183.083
 
 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


MMs03247423
PUBCHEM-ZINC05357261