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NCID-ZINC01678665

 MMsINC code: MMs02313368
Type: Neutral
Formula: C6H5F4N3
SMILES:   Fc1c(NN)c(F)c(F)c(F)c1N
InChI:   InChI=1/C6H5F4N3/c7-1-2(8)5(11)4(10)6(13-12)3(1)9/h13H,11-12H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.119 g/mol  logS: -1.98649  SlogP: 1.1108  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0252385  Sterimol/B1: 2.40506  Sterimol/B2: 2.52908  Sterimol/B3: 3.46754
  Sterimol/B4: 4.99212  Sterimol/L: 10.2257 
 
 Surface and Volume Properties
  Accessible surface: 319.44  Positive charged surface: 176.841  Negative charged surface: 142.599  Volume: 135.375
  Hydrophobic surface: 174.255  Hydrophilic surface: 145.185
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 1  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.