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ENAMINE-ZINC03306490

 MMsINC code: MMs01361412
Type: Neutral
Formula: C14H17F3N2O
SMILES:   FC(F)(F)c1ccc(cc1)C(=O)N1CCN(CC1)CC
InChI:   InChI=1/C14H17F3N2O/c1-2-18-7-9-19(10-8-18)13(20)11-3-5-12(6-4-11)14(15,16)17/h3-6H,2,7-10H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.0731 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.297 g/mol  logS: -2.85551  SlogP: 2.7946  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0676475  Sterimol/B1: 3.1454  Sterimol/B2: 3.19166  Sterimol/B3: 3.42727
  Sterimol/B4: 5.24121  Sterimol/L: 15.734 
 
 Surface and Volume Properties
  Accessible surface: 494.596  Positive charged surface: 291.625  Negative charged surface: 202.971  Volume: 254.375
  Hydrophobic surface: 336.598  Hydrophilic surface: 157.998
 
 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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Ions/Tautomers related molecules


MMs01361413
ENAMINE-ZINC03306490