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ENAMINE-ZINC03459662

 MMsINC code: MMs01456430
Type: Neutral
Formula: C14H20F3N3O3
SMILES:   FC(F)(F)CNC(=O)CN1C(=O)C(NC1=O)(C)C1CCCCC1
InChI:   InChI=1/C14H20F3N3O3/c1-13(9-5-3-2-4-6-9)11(22)20(12(23)19-13)7-10(21)18-8-14(15,16)17/h9H,2-8H2,1H3,(H,18,21)(H,19,23)/t13-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.326 g/mol  logS: -3.79163  SlogP: 1.9756  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0786048  Sterimol/B1: 2.42549  Sterimol/B2: 3.07948  Sterimol/B3: 4.86494
  Sterimol/B4: 7.47484  Sterimol/L: 14.9692 
 
 Surface and Volume Properties
  Accessible surface: 532.25  Positive charged surface: 309.04  Negative charged surface: 223.21  Volume: 282.875
  Hydrophobic surface: 283.501  Hydrophilic surface: 248.749
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.