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PUBCHEM-ZINC00396439

 MMsINC code: MMs02673498
Type: Neutral
Formula: C13H8Cl3NO2
SMILES:   Clc1cc(NC(Oc2ccc(Cl)cc2)=O)ccc1Cl
InChI:   InChI=1/C13H8Cl3NO2/c14-8-1-4-10(5-2-8)19-13(18)17-9-3-6-11(15)12(16)7-9/h1-7H,(H,17,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.7851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.571 g/mol  logS: -5.59899  SlogP: 5.2577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0744353  Sterimol/B1: 2.80759  Sterimol/B2: 3.24866  Sterimol/B3: 4.60144
  Sterimol/B4: 4.85262  Sterimol/L: 16.474 
 
 Surface and Volume Properties
  Accessible surface: 515.679  Positive charged surface: 186.143  Negative charged surface: 329.536  Volume: 252.125
  Hydrophobic surface: 463.122  Hydrophilic surface: 52.557
 
 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.