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ENAMINE-ZINC03419918

 MMsINC code: MMs01431302
Type: Neutral
Formula: C19H21F3N2O
SMILES:   FC(F)(F)c1cc(ccc1)CC(=O)NCC(N(C)C)c1ccccc1
InChI:   InChI=1/C19H21F3N2O/c1-24(2)17(15-8-4-3-5-9-15)13-23-18(25)12-14-7-6-10-16(11-14)19(20,21)22/h3-11,17H,12-13H2,1-2H3,(H,23,25)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.914 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.384 g/mol  logS: -4.31482  SlogP: 4.07397  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118428  Sterimol/B1: 2.76461  Sterimol/B2: 3.85359  Sterimol/B3: 4.72818
  Sterimol/B4: 6.48725  Sterimol/L: 16.9945 
 
 Surface and Volume Properties
  Accessible surface: 604.531  Positive charged surface: 338.786  Negative charged surface: 265.745  Volume: 324
  Hydrophobic surface: 467.437  Hydrophilic surface: 137.094
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01431303
ENAMINE-ZINC03419918