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CHEMBRIDGE-ZINC00287707

MMsINC code: MMs00601601

Type: Neutral
Formula: C13H8Cl2O2
SMILES:   Clc1ccc(cc1)C(Oc1ccc(Cl)cc1)=O
InChI:   InChI=1/C13H8Cl2O2/c14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12/h1-8H

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=61.2018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.111 g/mol  logS: -4.96752  SlogP: 4.2126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0616834  Sterimol/B1: 2.35841  Sterimol/B2: 2.42028  Sterimol/B3: 3.85892
  Sterimol/B4: 4.60984  Sterimol/L: 16.592 
 
 Surface and Volume Properties
  Accessible surface: 467.447  Positive charged surface: 175.684  Negative charged surface: 291.764  Volume: 228.625
  Hydrophobic surface: 437.825  Hydrophilic surface: 29.622
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.