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PUBCHEM-ZINC02018219

 MMsINC code: MMs02853915
Type: Neutral
Formula: C3H2Cl4O
SMILES:   ClC(Cl)(Cl)C(=O)CCl
InChI:   InChI=1/C3H2Cl4O/c4-1-2(8)3(5,6)7/h1H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.592 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.86 g/mol  logS: -3.09493  SlogP: 2.5844  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.232531  Sterimol/B1: 2.87018  Sterimol/B2: 3.51537  Sterimol/B3: 3.5168
  Sterimol/B4: 3.80184  Sterimol/L: 9.42295 
 
 Surface and Volume Properties
  Accessible surface: 306.178  Positive charged surface: 38.0246  Negative charged surface: 268.154  Volume: 128.625
  Hydrophobic surface: 32.6476  Hydrophilic surface: 273.5304
 
 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.