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PUBCHEM-ZINC05378045

 MMsINC code: MMs03251141
Type: Neutral
Formula: C22H13Cl2NO3
SMILES:   Clc1cccc(Cl)c1-c1nocc1C(=O)c1ccc(Oc2ccccc2)cc1
InChI:   InChI=1/C22H13Cl2NO3/c23-18-7-4-8-19(24)20(18)21-17(13-27-25-21)22(26)14-9-11-16(12-10-14)28-15-5-2-1-3-6-15/h1-13H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.565 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.256 g/mol  logS: -7.75051  SlogP: 6.6717  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113601  Sterimol/B1: 4.50733  Sterimol/B2: 5.00773  Sterimol/B3: 5.41172
  Sterimol/B4: 5.57878  Sterimol/L: 15.5013 
 
 Surface and Volume Properties
  Accessible surface: 610.195  Positive charged surface: 254.255  Negative charged surface: 355.94  Volume: 357.625
  Hydrophobic surface: 568.491  Hydrophilic surface: 41.704
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.