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ENAMINE-ZINC03363011

 MMsINC code: MMs01396932
Type: Neutral
Formula: C19H19F3N2O2
SMILES:   FC(F)(F)C=1C=CC(=O)N(C=1)C(C(=O)NC1CCCc2c1cccc2)C
InChI:   InChI=1/C19H19F3N2O2/c1-12(24-11-14(19(20,21)22)9-10-17(24)25)18(26)23-16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,9-12,16H,4,6,8H2,1H3,(H,23,26)/t12-,16+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.8582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.367 g/mol  logS: -4.84547  SlogP: 3.92867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0817691  Sterimol/B1: 2.07784  Sterimol/B2: 2.16686  Sterimol/B3: 5.41226
  Sterimol/B4: 8.28222  Sterimol/L: 15.6463 
 
 Surface and Volume Properties
  Accessible surface: 585.026  Positive charged surface: 297.89  Negative charged surface: 287.136  Volume: 317.25
  Hydrophobic surface: 419.377  Hydrophilic surface: 165.649
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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: no related molecules available.