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NCID-ZINC01678471

 MMsINC code: MMs02313229
Type: Neutral
Formula: C5H11O4P
SMILES:   P(OC)(OC)(=O)C(=O)CC
InChI:   InChI=1/C5H11O4P/c1-4-5(6)10(7,8-2)9-3/h4H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.5596 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.113 g/mol  logS: -0.20782  SlogP: 0.3387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0729792  Sterimol/B1: 2.56898  Sterimol/B2: 3.70432  Sterimol/B3: 3.72266
  Sterimol/B4: 4.33353  Sterimol/L: 10.7513 
 
 Surface and Volume Properties
  Accessible surface: 351.601  Positive charged surface: 255.927  Negative charged surface: 95.6742  Volume: 148.125
  Hydrophobic surface: 250.654  Hydrophilic surface: 100.947
 
 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.