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NCID-ZINC01563202

 MMsINC code: MMs02225004
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-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.6687 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: 0.112601  Sterimol/B1: 2.43963  Sterimol/B2: 2.97481  Sterimol/B3: 3.87663
  Sterimol/B4: 5.07519  Sterimol/L: 9.39524 
 
 Surface and Volume Properties
  Accessible surface: 346.224  Positive charged surface: 242.406  Negative charged surface: 103.818  Volume: 147.625
  Hydrophobic surface: 289.19  Hydrophilic surface: 57.034
 
 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.