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PUBCHEM-ZINC00396485

 MMsINC code: MMs02673526
Type: Neutral
Formula: C13H9Cl2NO2
SMILES:   Clc1ccccc1NC(Oc1ccc(Cl)cc1)=O
InChI:   InChI=1/C13H9Cl2NO2/c14-9-5-7-10(8-6-9)18-13(17)16-12-4-2-1-3-11(12)15/h1-8H,(H,16,17)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.3645 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: 0.0459298  Sterimol/B1: 2.54527  Sterimol/B2: 2.69343  Sterimol/B3: 3.47283
  Sterimol/B4: 6.47154  Sterimol/L: 15.3468 
 
 Surface and Volume Properties
  Accessible surface: 485.331  Positive charged surface: 199.241  Negative charged surface: 286.089  Volume: 238.625
  Hydrophobic surface: 438.988  Hydrophilic surface: 46.343
 
 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.