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PUBCHEM-ZINC00897150

 MMsINC code: MMs02741798
Type: Neutral
Formula: C5H10O5
SMILES:   OC(C(O)C=O)(CO)CO
InChI:   InChI=1/C5H10O5/c6-1-4(9)5(10,2-7)3-8/h1,4,7-10H,2-3H2/t4-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.8025 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.13 g/mol  logS: 1.18707  SlogP: -2.7381  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.271055  Sterimol/B1: 2.66147  Sterimol/B2: 2.70788  Sterimol/B3: 3.68128
  Sterimol/B4: 5.0334  Sterimol/L: 9.60367 
 
 Surface and Volume Properties
  Accessible surface: 309.819  Positive charged surface: 219.1  Negative charged surface: 90.7193  Volume: 127.25
  Hydrophobic surface: 92.9043  Hydrophilic surface: 216.9147
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.