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PUBCHEM-ZINC06094092

 MMsINC code: MMs03540254
Type: Neutral
Formula: C12H5Cl2FO2
SMILES:   Clc1cc2Oc3cc(F)ccc3Oc2cc1Cl
InChI:   InChI=1/C12H5Cl2FO2/c13-7-4-11-12(5-8(7)14)17-10-3-6(15)1-2-9(10)16-11/h1-5H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.4709 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.074 g/mol  logS: -5.89184  SlogP: 5.0305  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.49709e-07  Sterimol/B1: 2.09722  Sterimol/B2: 2.09803  Sterimol/B3: 3.25183
  Sterimol/B4: 4.68039  Sterimol/L: 13.3847 
 
 Surface and Volume Properties
  Accessible surface: 424.973  Positive charged surface: 161.431  Negative charged surface: 263.542  Volume: 208.625
  Hydrophobic surface: 424.973  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.