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PUBCHEM-ZINC05998098

 MMsINC code: MMs03482119
Type: Neutral
Formula: C3H11O5P
SMILES:   P(OC)(OC)(OC)(O)O
InChI:   InChI=1/C3H11O5P/c1-6-9(4,5,7-2)8-3/h4-5H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=154.301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.09 g/mol  logS: 0.42658  SlogP: 0.0385  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.215809  Sterimol/B1: 2.2395  Sterimol/B2: 2.51133  Sterimol/B3: 4.02668
  Sterimol/B4: 5.95892  Sterimol/L: 10.0574 
 
 Surface and Volume Properties
  Accessible surface: 321.084  Positive charged surface: 272.695  Negative charged surface: 48.3892  Volume: 131.125
  Hydrophobic surface: 218.888  Hydrophilic surface: 102.196
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.