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PUBCHEM-ZINC03602095

 MMsINC code: MMs03019179
Type: Neutral
Formula: C7H15O5P
SMILES:   P(OC)(OC)(=O)CCCOC(=O)C
InChI:   InChI=1/C7H15O5P/c1-7(8)12-5-4-6-13(9,10-2)11-3/h4-6H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.6135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.166 g/mol  logS: -0.22868  SlogP: 0.3553  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0407336  Sterimol/B1: 3.1612  Sterimol/B2: 3.18915  Sterimol/B3: 3.68156
  Sterimol/B4: 4.11428  Sterimol/L: 14.6377 
 
 Surface and Volume Properties
  Accessible surface: 433.989  Positive charged surface: 325.323  Negative charged surface: 108.666  Volume: 192.5
  Hydrophobic surface: 347.26  Hydrophilic surface: 86.729
 
 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.