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CHEMBLOCK-ZINC04618922

 MMsINC code: MMs00562478
Type: Neutral
Formula: C14H12F6N4O3
SMILES:   FC(F)(F)C(Oc1nc(nc(OC)n1)Nc1ccc(OC)cc1)C(F)(F)F
InChI:   InChI=1/C14H12F6N4O3/c1-25-8-5-3-7(4-6-8)21-10-22-11(26-2)24-12(23-10)27-9(13(15,16)17)14(18,19)20/h3-6,9H,1-2H3,(H,21,22,23,24)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.9961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.263 g/mol  logS: -6.19286  SlogP: 4.3442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0372958  Sterimol/B1: 3.27453  Sterimol/B2: 3.79078  Sterimol/B3: 4.30969
  Sterimol/B4: 5.44605  Sterimol/L: 17.9685 
 
 Surface and Volume Properties
  Accessible surface: 577.583  Positive charged surface: 303.206  Negative charged surface: 274.377  Volume: 294.25
  Hydrophobic surface: 297.375  Hydrophilic surface: 280.208
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.