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PUBCHEM-ZINC05178717

 MMsINC code: MMs03220975
Type: Neutral
Formula: C4H6Cl2O
SMILES:   ClCC(=O)CCCl
InChI:   InChI=1/C4H6Cl2O/c5-2-1-4(7)3-6/h1-3H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.8155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.997 g/mol  logS: -1.33437  SlogP: 1.4232  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.102043  Sterimol/B1: 2.23465  Sterimol/B2: 2.37489  Sterimol/B3: 2.37552
  Sterimol/B4: 3.83321  Sterimol/L: 10.6436 
 
 Surface and Volume Properties
  Accessible surface: 299.402  Positive charged surface: 129.119  Negative charged surface: 170.283  Volume: 116.875
  Hydrophobic surface: 124.404  Hydrophilic surface: 174.998
 
 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.