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PUBCHEM-ZINC05650772

 MMsINC code: MMs03337087
Type: Neutral
Formula: C4H9I2O2P
SMILES:   ICP(OCC)(=O)CI
InChI:   InChI=1/C4H9I2O2P/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)=14.5394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.896 g/mol  logS: -2.71157  SlogP: 2.0158  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.170422  Sterimol/B1: 3.44638  Sterimol/B2: 4.04503  Sterimol/B3: 4.1917
  Sterimol/B4: 4.50484  Sterimol/L: 11.8003 
 
 Surface and Volume Properties
  Accessible surface: 385.895  Positive charged surface: 162.773  Negative charged surface: 223.122  Volume: 184.375
  Hydrophobic surface: 329.529  Hydrophilic surface: 56.366
 
 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.