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PUBCHEM-ZINC00902219

 MMsINC code: MMs02742346
Type: Neutral
Formula: C5H10O5
SMILES:   OC(C(O)CO)C(=O)CO
InChI:   InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.5308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.13 g/mol  logS: 0.88827  SlogP: -2.7381  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.1019  Sterimol/B1: 2.83343  Sterimol/B2: 3.05215  Sterimol/B3: 3.07403
  Sterimol/B4: 4.02133  Sterimol/L: 10.8891 
 
 Surface and Volume Properties
  Accessible surface: 316.503  Positive charged surface: 218.98  Negative charged surface: 97.5224  Volume: 129.875
  Hydrophobic surface: 102.478  Hydrophilic surface: 214.025
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.