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PUBCHEM-ZINC06036891

 MMsINC code: MMs03506847
Type: Neutral
Formula: C4H11O4P
SMILES:   P(OC)(OC)(=O)C(O)C
InChI:   InChI=1/C4H11O4P/c1-4(5)9(6,7-2)8-3/h4-5H,1-3H3/t4-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.7368 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.102 g/mol  logS: 0.38322  SlogP: -0.2596  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.215044  Sterimol/B1: 2.14721  Sterimol/B2: 3.61759  Sterimol/B3: 4.43178
  Sterimol/B4: 4.72976  Sterimol/L: 9.03515 
 
 Surface and Volume Properties
  Accessible surface: 326.25  Positive charged surface: 250.488  Negative charged surface: 75.7612  Volume: 136
  Hydrophobic surface: 223.93  Hydrophilic surface: 102.32
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.