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PUBCHEM-ZINC03165025

 MMsINC code: MMs03004039
Type: Neutral
Formula: C4H9Cl2O2P
SMILES:   ClCP(OCC)(=O)CCl
InChI:   InChI=1/C4H9Cl2O2P/c1-2-8-9(7,3-5)4-6/h2-4H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.397 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.994 g/mol  logS: -0.62559  SlogP: 1.6234  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.158076  Sterimol/B1: 3.4251  Sterimol/B2: 3.63432  Sterimol/B3: 4.04385
  Sterimol/B4: 4.14253  Sterimol/L: 11.1558 
 
 Surface and Volume Properties
  Accessible surface: 354.515  Positive charged surface: 175.722  Negative charged surface: 178.794  Volume: 151.625
  Hydrophobic surface: 174.474  Hydrophilic surface: 180.041
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.