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PUBCHEM-ZINC05821507

 MMsINC code: MMs03400542
Type: Neutral
Formula: C6H13O4P
SMILES:   P1(OCCO1)(OCCCC)=O
InChI:   InChI=1/C6H13O4P/c1-2-3-4-8-11(7)9-5-6-10-11/h2-6H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.39446 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.14 g/mol  logS: -1.05898  SlogP: 0.8878  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0625664  Sterimol/B1: 2.77043  Sterimol/B2: 2.93884  Sterimol/B3: 3.15938
  Sterimol/B4: 4.35781  Sterimol/L: 13.0455 
 
 Surface and Volume Properties
  Accessible surface: 381.753  Positive charged surface: 276.135  Negative charged surface: 105.618  Volume: 160.875
  Hydrophobic surface: 282.078  Hydrophilic surface: 99.675
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.