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ALFAAESAR-ZINC02020041

 MMsINC code: MMs00022374
Type: Neutral
Formula: C5H10O5
SMILES:   OC(C(O)CO)C(O)C=O
InChI:   InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.8312 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.13 g/mol  logS: 1.18707  SlogP: -2.7397  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.162356  Sterimol/B1: 2.47805  Sterimol/B2: 3.3524  Sterimol/B3: 3.40021
  Sterimol/B4: 3.84682  Sterimol/L: 10.8806 
 
 Surface and Volume Properties
  Accessible surface: 314.609  Positive charged surface: 211.544  Negative charged surface: 103.065  Volume: 130
  Hydrophobic surface: 94.2736  Hydrophilic surface: 220.3354
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.