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NCID-ZINC01842878

 MMsINC code: MMs02370940
Type: Neutral
Formula: C6H10O5
SMILES:   O1C(=O)C(O)(CC1CO)CO
InChI:   InChI=1/C6H10O5/c7-2-4-1-6(10,3-8)5(9)11-4/h4,7-8,10H,1-3H2/t4-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=44.7382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.141 g/mol  logS: 0.2583  SlogP: -1.9824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188482  Sterimol/B1: 2.43891  Sterimol/B2: 3.09693  Sterimol/B3: 3.45304
  Sterimol/B4: 4.48892  Sterimol/L: 10.4873 
 
 Surface and Volume Properties
  Accessible surface: 329.053  Positive charged surface: 230.736  Negative charged surface: 98.3169  Volume: 138.875
  Hydrophobic surface: 134.316  Hydrophilic surface: 194.737
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.