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PUBCHEM-ZINC02170735

MMsINC code: MMs02879965

Type: Neutral
Formula: C13H10Cl2O2
SMILES:   ClC(Cl)(Oc1ccccc1)Oc1ccccc1
InChI:   InChI=1/C13H10Cl2O2/c14-13(15,16-11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10H

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Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=109.733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.127 g/mol  logS: -4.97842  SlogP: 4.6532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.012152  Sterimol/B1: 3.30363  Sterimol/B2: 3.51574  Sterimol/B3: 3.51741
  Sterimol/B4: 4.59122  Sterimol/L: 14.5181 
 
 Surface and Volume Properties
  Accessible surface: 454.351  Positive charged surface: 189.88  Negative charged surface: 264.471  Volume: 230.5
  Hydrophobic surface: 350.996  Hydrophilic surface: 103.355
 
 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: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.