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PUBCHEM-ZINC06095865

MMsINC code: MMs03541938

Type: Neutral
Formula: C13H8Cl2O2
SMILES:   Clc1cc(cc(Cl)c1O)C(=O)c1ccccc1
InChI:   InChI=1/C13H8Cl2O2/c14-10-6-9(7-11(15)13(10)17)12(16)8-4-2-1-3-5-8/h1-7,17H

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=80.6664 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.111 g/mol  logS: -4.56432  SlogP: 3.93  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0359972  Sterimol/B1: 2.72391  Sterimol/B2: 2.75821  Sterimol/B3: 4.22617
  Sterimol/B4: 5.17368  Sterimol/L: 13.241 
 
 Surface and Volume Properties
  Accessible surface: 445.564  Positive charged surface: 173.846  Negative charged surface: 271.717  Volume: 225.5
  Hydrophobic surface: 369.392  Hydrophilic surface: 76.172
 
 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: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.