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PUBCHEM-ZINC06482376

 MMsINC code: MMs03758722
Type: Neutral
Formula: C5H11O6P
SMILES:   P(OC)(OC)(=O)C(O)C(OC)=O
InChI:   InChI=1/C5H11O6P/c1-9-4(6)5(7)12(8,10-2)11-3/h5,7H,1-3H3/t5-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.3507 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.111 g/mol  logS: 0.30226  SlogP: -1.1065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0653898  Sterimol/B1: 3.15038  Sterimol/B2: 3.41795  Sterimol/B3: 4.08541
  Sterimol/B4: 4.41737  Sterimol/L: 12.132 
 
 Surface and Volume Properties
  Accessible surface: 382.229  Positive charged surface: 302.19  Negative charged surface: 80.0387  Volume: 161.5
  Hydrophobic surface: 266.399  Hydrophilic surface: 115.83
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.