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NCID-ZINC02028683

 MMsINC code: MMs02378385
Type: Neutral
Formula: C5H11O4P
SMILES:   P(OC)(OC)(=O)C1(OC1)C
InChI:   InChI=1/C5H11O4P/c1-5(4-9-5)10(6,7-2)8-3/h4H2,1-3H3/t5-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.5527 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.113 g/mol  logS: -0.28603  SlogP: 0.1485  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.15064  Sterimol/B1: 2.4903  Sterimol/B2: 2.85349  Sterimol/B3: 4.33402
  Sterimol/B4: 5.11893  Sterimol/L: 9.18419 
 
 Surface and Volume Properties
  Accessible surface: 349.501  Positive charged surface: 243.973  Negative charged surface: 105.528  Volume: 148.125
  Hydrophobic surface: 292.59  Hydrophilic surface: 56.911
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.