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ENAMINE-ZINC03363013

 MMsINC code: MMs01396934
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-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.8865 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: 0.0809548  Sterimol/B1: 2.15207  Sterimol/B2: 4.74375  Sterimol/B3: 5.14855
  Sterimol/B4: 5.70194  Sterimol/L: 15.8271 
 
 Surface and Volume Properties
  Accessible surface: 568.568  Positive charged surface: 294.054  Negative charged surface: 274.514  Volume: 320.875
  Hydrophobic surface: 406.589  Hydrophilic surface: 161.979
 
 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.