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PUBCHEM-ZINC06118845

 MMsINC code: MMs03547842
Type: Neutral
Formula: C16H8Cl2O2
SMILES:   Clc1cc2Oc3c(Oc2cc1Cl)cc1c(c3)cccc1
InChI:   InChI=1/C16H8Cl2O2/c17-11-7-15-16(8-12(11)18)20-14-6-10-4-2-1-3-9(10)5-13(14)19-15/h1-8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.9214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.144 g/mol  logS: -7.47474  SlogP: 6.0446  Reactive groups: 0
 
 Topological Properties
  Globularity: 6.56911e-08  Sterimol/B1: 2.097  Sterimol/B2: 2.09973  Sterimol/B3: 3.26672
  Sterimol/B4: 4.6628  Sterimol/L: 15.518 
 
 Surface and Volume Properties
  Accessible surface: 494.243  Positive charged surface: 197.584  Negative charged surface: 285.587  Volume: 253.375
  Hydrophobic surface: 494.243  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.