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NCID-ZINC00967837

 MMsINC code: MMs02218127
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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Potential Energy
Epot(MMFF94)=48.6187 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: 0.171853  Sterimol/B1: 2.51416  Sterimol/B2: 3.03339  Sterimol/B3: 3.66866
  Sterimol/B4: 3.67296  Sterimol/L: 10.8269 
 
 Surface and Volume Properties
  Accessible surface: 314.482  Positive charged surface: 211.747  Negative charged surface: 102.736  Volume: 129.375
  Hydrophobic surface: 95.8663  Hydrophilic surface: 218.6157
 
 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.