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PUBCHEM-ZINC05998129

 MMsINC code: MMs03482145
Type: Neutral
Formula: C5H10Cl3O4P
SMILES:   ClC(Cl)(Cl)C(P(OC)(OC)=O)OC
InChI:   InChI=1/C5H10Cl3O4P/c1-10-4(5(6,7)8)13(9,11-2)12-3/h4H,1-3H3/t4-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.4355 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.464 g/mol  logS: -2.04251  SlogP: 2.1647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139549  Sterimol/B1: 2.35442  Sterimol/B2: 2.81061  Sterimol/B3: 4.0517
  Sterimol/B4: 7.03893  Sterimol/L: 10.295 
 
 Surface and Volume Properties
  Accessible surface: 404.48  Positive charged surface: 226.456  Negative charged surface: 178.024  Volume: 197.5
  Hydrophobic surface: 225.617  Hydrophilic surface: 178.863
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.