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CHEMBRIDGE-ZINC01084503

 MMsINC code: MMs00659711
Type: Neutral
Formula: C15H11ClF4N2O2
SMILES:   Clc1cc(NC(=O)Nc2ccc(OC(F)(F)C(F)F)cc2)ccc1
InChI:   InChI=1/C15H11ClF4N2O2/c16-9-2-1-3-11(8-9)22-14(23)21-10-4-6-12(7-5-10)24-15(19,20)13(17)18/h1-8,13H,(H2,21,22,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.9754 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.71 g/mol  logS: -5.32413  SlogP: 6.0605  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0294115  Sterimol/B1: 2.47251  Sterimol/B2: 4.33758  Sterimol/B3: 4.92064
  Sterimol/B4: 5.09774  Sterimol/L: 17.2427 
 
 Surface and Volume Properties
  Accessible surface: 560.229  Positive charged surface: 232.578  Negative charged surface: 327.651  Volume: 279.25
  Hydrophobic surface: 364.878  Hydrophilic surface: 195.351
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.