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ALFAAESAR-ZINC00056435

MMsINC code: MMs00019316

Type: Neutral
Formula: C13H10Cl2O2
SMILES:   Clc1cc(Cc2cc(Cl)ccc2O)c(O)cc1
InChI:   InChI=1/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=47.393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.127 g/mol  logS: -3.93249  SlogP: 3.99537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156658  Sterimol/B1: 2.22048  Sterimol/B2: 4.5336  Sterimol/B3: 4.59813
  Sterimol/B4: 4.72515  Sterimol/L: 11.7617 
 
 Surface and Volume Properties
  Accessible surface: 451.134  Positive charged surface: 194.945  Negative charged surface: 256.189  Volume: 231.875
  Hydrophobic surface: 385.731  Hydrophilic surface: 65.403
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.