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PUBCHEM-ZINC05732196

 MMsINC code: MMs03363728
Type: Neutral
Formula: C2H5O5P
SMILES:   P(OC)(O)(=O)C(O)=O
InChI:   InChI=1/C2H5O5P/c1-7-8(5,6)2(3)4/h1H3,(H,3,4)(H,5,6)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.8788 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.031 g/mol  logS: 0.682  SlogP: -0.574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122086  Sterimol/B1: 2.63939  Sterimol/B2: 2.76235  Sterimol/B3: 3.74129
  Sterimol/B4: 3.8919  Sterimol/L: 9.54316 
 
 Surface and Volume Properties
  Accessible surface: 283.379  Positive charged surface: 165.38  Negative charged surface: 117.999  Volume: 99.375
  Hydrophobic surface: 89.3187  Hydrophilic surface: 194.0603
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.