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PUBCHEM-ZINC00396637

 MMsINC code: MMs02673612
Type: Neutral
Formula: C13H9Cl2NO2
SMILES:   Clc1ccc(NC(Oc2ccc(Cl)cc2)=O)cc1
InChI:   InChI=1/C13H9Cl2NO2/c14-9-1-5-11(6-2-9)16-13(17)18-12-7-3-10(15)4-8-12/h1-8H,(H,16,17)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.6781 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.126 g/mol  logS: -4.8647  SlogP: 4.6043  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0459697  Sterimol/B1: 2.5451  Sterimol/B2: 2.91549  Sterimol/B3: 3.3191
  Sterimol/B4: 5.26936  Sterimol/L: 16.46 
 
 Surface and Volume Properties
  Accessible surface: 490.75  Positive charged surface: 197.888  Negative charged surface: 292.862  Volume: 238.875
  Hydrophobic surface: 435.61  Hydrophilic surface: 55.14
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.