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PUBCHEM-ZINC04529329

 MMsINC code: MMs03129019
Type: Neutral
Formula: C2H7O3P
SMILES:   [PH](OCC)(O)=O
InChI:   InChI=1/C2H7O3P/c1-2-5-6(3)4/h6H,2H2,1H3,(H,3,4)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-20.4411 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 110.049 g/mol  logS: -0.20474  SlogP: -0.6653  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103151  Sterimol/B1: 2.4794  Sterimol/B2: 2.60205  Sterimol/B3: 2.85945
  Sterimol/B4: 3.30377  Sterimol/L: 9.5345 
 
 Surface and Volume Properties
  Accessible surface: 269.45  Positive charged surface: 148.019  Negative charged surface: 121.432  Volume: 91
  Hydrophobic surface: 133.887  Hydrophilic surface: 135.563
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.