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PUBCHEM-ZINC06761076

 MMsINC code: MMs03854372
Type: Neutral
Formula: C5H8O5
SMILES:   O1CC(O)C(O)C(O)C1=O
InChI:   InChI=1/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h2-4,6-8H,1H2/t2-,3+,4+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.0235 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.114 g/mol  logS: 0.46007  SlogP: -2.3741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.264937  Sterimol/B1: 2.81782  Sterimol/B2: 2.93766  Sterimol/B3: 3.15217
  Sterimol/B4: 5.11765  Sterimol/L: 8.10649 
 
 Surface and Volume Properties
  Accessible surface: 296.737  Positive charged surface: 196.135  Negative charged surface: 100.602  Volume: 117.625
  Hydrophobic surface: 96.0392  Hydrophilic surface: 200.6978
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.