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ENAMINE-ZINC05936580

 MMsINC code: MMs01645901
Type: Neutral
Formula: C23H19F3N2O2
SMILES:   FC(F)(F)c1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1
InChI:   InChI=1/C23H19F3N2O2/c1-15(16-9-3-2-4-10-16)27-22(30)18-12-6-8-14-20(18)28-21(29)17-11-5-7-13-19(17)23(24,25)26/h2-15H,1H3,(H,27,30)(H,28,29)/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.785 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.411 g/mol  logS: -6.65266  SlogP: 5.8557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0752984  Sterimol/B1: 1.99031  Sterimol/B2: 3.98137  Sterimol/B3: 5.96813
  Sterimol/B4: 8.12529  Sterimol/L: 17.3443 
 
 Surface and Volume Properties
  Accessible surface: 654.168  Positive charged surface: 321.016  Negative charged surface: 333.151  Volume: 369.5
  Hydrophobic surface: 512.809  Hydrophilic surface: 141.359
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.