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PUBCHEM-ZINC02870705

 MMsINC code: MMs02948526
Type: Neutral
Formula: C13H12ClF6NO
SMILES:   Clc1cc(NC(=O)C(CC)(C(F)(F)F)C(F)(F)F)ccc1C
InChI:   InChI=1/C13H12ClF6NO/c1-3-11(12(15,16)17,13(18,19)20)10(22)21-8-5-4-7(2)9(14)6-8/h4-6H,3H2,1-2H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.6741 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.686 g/mol  logS: -5.12118  SlogP: 5.94772  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.108016  Sterimol/B1: 2.30407  Sterimol/B2: 2.45288  Sterimol/B3: 5.40276
  Sterimol/B4: 5.71581  Sterimol/L: 13.2639 
 
 Surface and Volume Properties
  Accessible surface: 481.953  Positive charged surface: 179.904  Negative charged surface: 302.049  Volume: 257.875
  Hydrophobic surface: 301.678  Hydrophilic surface: 180.275
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.