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CHEMBRIDGE-ZINC00649266

 MMsINC code: MMs00637916
Type: Neutral
Formula: C17H14ClF4NO2
SMILES:   Clc1ccc(OC(C(=O)Nc2cc(ccc2F)C(F)(F)F)(C)C)cc1
InChI:   InChI=1/C17H14ClF4NO2/c1-16(2,25-12-6-4-11(18)5-7-12)15(24)23-14-9-10(17(20,21)22)3-8-13(14)19/h3-9H,1-2H3,(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.749 g/mol  logS: -6.17193  SlogP: 5.6055  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0940215  Sterimol/B1: 1.99065  Sterimol/B2: 3.33213  Sterimol/B3: 4.6669
  Sterimol/B4: 8.4285  Sterimol/L: 13.2008 
 
 Surface and Volume Properties
  Accessible surface: 553.695  Positive charged surface: 217.633  Negative charged surface: 336.062  Volume: 301.25
  Hydrophobic surface: 398.589  Hydrophilic surface: 155.106
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.