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NCID-ZINC01557610

 MMsINC code: MMs02220746
Type: Neutral
Formula: C33H20F6N2
SMILES:   FC(F)(F)c1c2n(nc1C(F)(F)F)C(=C(C(=C2c1ccccc1)c1ccccc1)c1cccc
c1)c1ccccc1
InChI:   InChI=1/C33H20F6N2/c34-32(35,36)28-30-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)29(24-19-11-4-12-20-24)41(30)40-31(28)33(37,38)39/h1-20H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=181.953 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 558.525 g/mol  logS: -10.4338  SlogP: 9.56758  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131003  Sterimol/B1: 2.53174  Sterimol/B2: 3.47819  Sterimol/B3: 3.66559
  Sterimol/B4: 12.4338  Sterimol/L: 15.895 
 
 Surface and Volume Properties
  Accessible surface: 725.875  Positive charged surface: 377.238  Negative charged surface: 348.637  Volume: 481.875
  Hydrophobic surface: 570.627  Hydrophilic surface: 155.248
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.