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ENAMINE-ZINC05257225

 MMsINC code: MMs01602575
Type: Neutral
Formula: C8H4Cl4O2
SMILES:   Clc1c(Cl)c(cc(Cl)c1Cl)C(OC)=O
InChI:   InChI=1/C8H4Cl4O2/c1-14-8(13)3-2-4(9)6(11)7(12)5(3)10/h2H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.3309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.93 g/mol  logS: -4.70377  SlogP: 4.0868  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0122963  Sterimol/B1: 2.37455  Sterimol/B2: 2.37556  Sterimol/B3: 4.77839
  Sterimol/B4: 5.18913  Sterimol/L: 12.289 
 
 Surface and Volume Properties
  Accessible surface: 405.262  Positive charged surface: 147.832  Negative charged surface: 257.43  Volume: 197.5
  Hydrophobic surface: 374.353  Hydrophilic surface: 30.909
 
 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.