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PUBCHEM-ZINC01846640

 MMsINC code: MMs02824233
Type: Neutral
Formula: C7H4Cl4O2
SMILES:   Clc1c(OC)c(Cl)c(Cl)c(O)c1Cl
InChI:   InChI=1/C7H4Cl4O2/c1-13-7-4(10)2(8)6(12)3(9)5(7)11/h12H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.1999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.919 g/mol  logS: -4.01047  SlogP: 4.0144  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0420685  Sterimol/B1: 2.09795  Sterimol/B2: 2.8562  Sterimol/B3: 4.74981
  Sterimol/B4: 4.75002  Sterimol/L: 10.6675 
 
 Surface and Volume Properties
  Accessible surface: 381.341  Positive charged surface: 134.959  Negative charged surface: 246.382  Volume: 183.375
  Hydrophobic surface: 332.682  Hydrophilic surface: 48.659
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.