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PUBCHEM-ZINC02950451

 MMsINC code: MMs02965385
Type: Neutral
Formula: C20H8F6N2
SMILES:   Fc1c(F)c(F)c2nc(c(nc2c1F)-c1ccc(F)cc1)-c1ccc(F)cc1
InChI:   InChI=1/C20H8F6N2/c21-11-5-1-9(2-6-11)17-18(10-3-7-12(22)8-4-10)28-20-16(26)14(24)13(23)15(25)19(20)27-17/h1-8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.221 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.286 g/mol  logS: -7.24432  SlogP: 5.7984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0588312  Sterimol/B1: 2.696  Sterimol/B2: 3.08732  Sterimol/B3: 3.67758
  Sterimol/B4: 8.33562  Sterimol/L: 13.7257 
 
 Surface and Volume Properties
  Accessible surface: 542.555  Positive charged surface: 226.609  Negative charged surface: 311.714  Volume: 302.25
  Hydrophobic surface: 507.796  Hydrophilic surface: 34.759
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.