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PUBCHEM-ZINC02014443

 MMsINC code: MMs02851118
Type: Neutral
Formula: C6H13Cl2O2P
SMILES:   ClCP(OC(CC)C)(=O)CCl
InChI:   InChI=1/C6H13Cl2O2P/c1-3-6(2)10-11(9,4-7)5-8/h6H,3-5H2,1-2H3/t6-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.6825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.048 g/mol  logS: -1.15457  SlogP: 2.402  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.197931  Sterimol/B1: 2.14217  Sterimol/B2: 2.71088  Sterimol/B3: 3.64197
  Sterimol/B4: 6.06371  Sterimol/L: 10.8075 
 
 Surface and Volume Properties
  Accessible surface: 388.663  Positive charged surface: 204.877  Negative charged surface: 183.785  Volume: 188.125
  Hydrophobic surface: 210.538  Hydrophilic surface: 178.125
 
 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.