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PUBCHEM-ZINC02014787

 MMsINC code: MMs02851244
Type: Neutral
Formula: C5H12ClO2P
SMILES:   ClCP(OCC)(=O)CC
InChI:   InChI=1/C5H12ClO2P/c1-3-8-9(7,4-2)5-6/h3-5H2,1-2H3/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.576 g/mol  logS: -0.48202  SlogP: 1.447  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.157298  Sterimol/B1: 2.77973  Sterimol/B2: 3.47353  Sterimol/B3: 4.03718
  Sterimol/B4: 5.45264  Sterimol/L: 10.1512 
 
 Surface and Volume Properties
  Accessible surface: 359.758  Positive charged surface: 218.265  Negative charged surface: 141.493  Volume: 154
  Hydrophobic surface: 224.214  Hydrophilic surface: 135.544
 
 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.