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ENAMINE-ZINC03336459

 MMsINC code: MMs01380127
Type: Neutral
Formula: C19H19F3N4O2
SMILES:   FC(F)(F)c1ccc(nc1)N1CCN(CC1)C(=O)c1cc(NC(=O)C)ccc1
InChI:   InChI=1/C19H19F3N4O2/c1-13(27)24-16-4-2-3-14(11-16)18(28)26-9-7-25(8-10-26)17-6-5-15(12-23-17)19(20,21)22/h2-6,11-12H,7-10H2,1H3,(H,24,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=160.814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.381 g/mol  logS: -3.61473  SlogP: 3.3327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0945676  Sterimol/B1: 2.21977  Sterimol/B2: 3.15659  Sterimol/B3: 5.62022
  Sterimol/B4: 7.00445  Sterimol/L: 18.7714 
 
 Surface and Volume Properties
  Accessible surface: 627.665  Positive charged surface: 364.792  Negative charged surface: 262.873  Volume: 340.875
  Hydrophobic surface: 419.342  Hydrophilic surface: 208.323
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: no related molecules available.