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PUBCHEM-ZINC02539272

 MMsINC code: MMs02896388
Type: Neutral
Formula: C4H9O5P
SMILES:   P(OC)(OC)(=O)C(OC)=O
InChI:   InChI=1/C4H9O5P/c1-7-4(5)10(6,8-2)9-3/h1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.0294 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.085 g/mol  logS: -0.07551  SlogP: 0.1685  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0657314  Sterimol/B1: 2.56829  Sterimol/B2: 3.59494  Sterimol/B3: 3.98188
  Sterimol/B4: 4.08962  Sterimol/L: 10.4761 
 
 Surface and Volume Properties
  Accessible surface: 344.585  Positive charged surface: 261.998  Negative charged surface: 82.5867  Volume: 137.75
  Hydrophobic surface: 245.937  Hydrophilic surface: 98.648
 
 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.