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PUBCHEM-ZINC05783661

 MMsINC code: MMs03384404
Type: Neutral
Formula: C6H10O8
SMILES:   OC(C(O)C(O)C(O)=O)C(O)C(O)=O
InChI:   InChI=1/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1

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Potential Energy
Epot(MMFF94)=61.7643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.138 g/mol  logS: 1.22794  SlogP: -3.4008  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106239  Sterimol/B1: 3.13405  Sterimol/B2: 3.35324  Sterimol/B3: 3.37923
  Sterimol/B4: 3.85591  Sterimol/L: 11.4632 
 
 Surface and Volume Properties
  Accessible surface: 358.423  Positive charged surface: 208.462  Negative charged surface: 149.961  Volume: 159.375
  Hydrophobic surface: 51.5424  Hydrophilic surface: 306.8806
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03384405
PUBCHEM-ZINC05783661