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NCID-ZINC04691975

 MMsINC code: MMs02393602
Type: Neutral
Formula: C6H10O5
SMILES:   O1C(CO)C(O)C(O)(C)C1=O
InChI:   InChI=1/C6H10O5/c1-6(10)4(8)3(2-7)11-5(6)9/h3-4,7-8,10H,2H2,1H3/t3-,4-,6+/m0/s1

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Potential Energy
Epot(MMFF94)=55.6082 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.141 g/mol  logS: 0.13286  SlogP: -1.984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17352  Sterimol/B1: 2.55835  Sterimol/B2: 3.42241  Sterimol/B3: 3.76889
  Sterimol/B4: 4.41054  Sterimol/L: 10.3503 
 
 Surface and Volume Properties
  Accessible surface: 325.102  Positive charged surface: 216.419  Negative charged surface: 108.683  Volume: 136.25
  Hydrophobic surface: 116.835  Hydrophilic surface: 208.267
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.