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CHEMBRIDGE-ZINC02811179

 MMsINC code: MMs00717127
Type: Tautomer
Formula: C15H21F3N2
SMILES:   FC(F)(F)c1ccc(cc1)CN(C)C1CCN(CC1)C
InChI:   InChI=1/C15H21F3N2/c1-19-9-7-14(8-10-19)20(2)11-12-3-5-13(6-4-12)15(16,17)18/h3-6,14H,7-11H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.8872 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.341 g/mol  logS: -2.76315  SlogP: 3.8093  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0589051  Sterimol/B1: 2.92442  Sterimol/B2: 3.0156  Sterimol/B3: 3.84265
  Sterimol/B4: 4.68181  Sterimol/L: 16.065 
 
 Surface and Volume Properties
  Accessible surface: 505.214  Positive charged surface: 338.689  Negative charged surface: 166.525  Volume: 270.875
  Hydrophobic surface: 395.085  Hydrophilic surface: 110.129
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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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Parent related molecule:


MMs00717126
CHEMBRIDGE-ZINC02811179