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NCID-ZINC01577714

 MMsINC code: MMs02235914
Type: Neutral
Formula: C7H4Cl4O
SMILES:   Clc1c(OC)c(Cl)c(Cl)cc1Cl
InChI:   InChI=1/C7H4Cl4O/c1-12-7-5(10)3(8)2-4(9)6(7)11/h2H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.2437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.92 g/mol  logS: -4.37242  SlogP: 4.3088  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0512854  Sterimol/B1: 2.09618  Sterimol/B2: 2.86474  Sterimol/B3: 4.74862
  Sterimol/B4: 4.75085  Sterimol/L: 9.98037 
 
 Surface and Volume Properties
  Accessible surface: 371.534  Positive charged surface: 117.339  Negative charged surface: 254.195  Volume: 177.375
  Hydrophobic surface: 362.837  Hydrophilic surface: 8.697
 
 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.