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PUBCHEM-ZINC02018206

 MMsINC code: MMs02853904
Type: Neutral
Formula: C4H9ClIO2P
SMILES:   ICP(OCC)(=O)CCl
InChI:   InChI=1/C4H9ClIO2P/c1-2-8-9(7,3-5)4-6/h2-4H2,1H3/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.0671 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.445 g/mol  logS: -1.66858  SlogP: 1.8196  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.154416  Sterimol/B1: 3.42879  Sterimol/B2: 3.65567  Sterimol/B3: 4.01484
  Sterimol/B4: 4.13809  Sterimol/L: 11.8028 
 
 Surface and Volume Properties
  Accessible surface: 370.065  Positive charged surface: 167.658  Negative charged surface: 202.406  Volume: 167.75
  Hydrophobic surface: 256.537  Hydrophilic surface: 113.528
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.