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PUBCHEM-ZINC05639296

 MMsINC code: MMs03331783
Type: Neutral
Formula: C10H8ClF6N3O
SMILES:   Clc1ccc(nc1)NC(NC(=O)C)(C(F)(F)F)C(F)(F)F
InChI:   InChI=1/C10H8ClF6N3O/c1-5(21)19-8(9(12,13)14,10(15,16)17)20-7-3-2-6(11)4-18-7/h2-4H,1H3,(H,18,20)(H,19,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.635 g/mol  logS: -3.37062  SlogP: 3.9437  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.259148  Sterimol/B1: 2.05577  Sterimol/B2: 3.22234  Sterimol/B3: 3.80274
  Sterimol/B4: 7.47706  Sterimol/L: 12.5682 
 
 Surface and Volume Properties
  Accessible surface: 439.968  Positive charged surface: 158.691  Negative charged surface: 281.278  Volume: 228
  Hydrophobic surface: 229.407  Hydrophilic surface: 210.561
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.