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PUBCHEM-ZINC05998252

 MMsINC code: MMs03482278
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-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.4007 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: 0.256807  Sterimol/B1: 2.42786  Sterimol/B2: 2.83715  Sterimol/B3: 5.03844
  Sterimol/B4: 6.61678  Sterimol/L: 9.76951 
 
 Surface and Volume Properties
  Accessible surface: 403.683  Positive charged surface: 227.248  Negative charged surface: 176.435  Volume: 199
  Hydrophobic surface: 226.382  Hydrophilic surface: 177.301
 
 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.