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PUBCHEM-ZINC02018207

 MMsINC code: MMs02853905
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-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.059 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: 0.154428  Sterimol/B1: 3.42882  Sterimol/B2: 3.65613  Sterimol/B3: 4.01472
  Sterimol/B4: 4.13788  Sterimol/L: 11.8027 
 
 Surface and Volume Properties
  Accessible surface: 371.589  Positive charged surface: 170.058  Negative charged surface: 201.531  Volume: 167.75
  Hydrophobic surface: 257.15  Hydrophilic surface: 114.439
 
 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.