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ENAMINE-ZINC06594725

 MMsINC code: MMs01682312
Type: Neutral
Formula: C14H9F6N3
SMILES:   FC(F)(F)c1ccccc1NN=Nc1ccccc1C(F)(F)F
InChI:   InChI=1/C14H9F6N3/c15-13(16,17)9-5-1-3-7-11(9)21-23-22-12-8-4-2-6-10(12)14(18,19)20/h1-8H,(H,21,22)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.756 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.235 g/mol  logS: -5.08807  SlogP: 6.458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0119971  Sterimol/B1: 2.64241  Sterimol/B2: 2.64374  Sterimol/B3: 3.2425
  Sterimol/B4: 5.62209  Sterimol/L: 14.3972 
 
 Surface and Volume Properties
  Accessible surface: 513.627  Positive charged surface: 159.288  Negative charged surface: 354.339  Volume: 254.125
  Hydrophobic surface: 309.858  Hydrophilic surface: 203.769
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.