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PUBCHEM-ZINC06761095

 MMsINC code: MMs03854399
Type: Neutral
Formula: C8H14O8
SMILES:   O1C(C(O)CO)C(O)C(O)CC1(O)C(O)=O
InChI:   InChI=1/C8H14O8/c9-2-4(11)6-5(12)3(10)1-8(15,16-6)7(13)14/h3-6,9-12,15H,1-2H2,(H,13,14)/t3-,4-,5-,6+,8+/m1/s1

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Potential Energy
Epot(MMFF94)=75.1878 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.192 g/mol  logS: 0.87711  SlogP: -3.3765  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196112  Sterimol/B1: 2.86872  Sterimol/B2: 3.84248  Sterimol/B3: 4.58696
  Sterimol/B4: 5.05342  Sterimol/L: 11.0236 
 
 Surface and Volume Properties
  Accessible surface: 404.409  Positive charged surface: 283.67  Negative charged surface: 120.739  Volume: 192.25
  Hydrophobic surface: 116.501  Hydrophilic surface: 287.908
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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


MMs03854400
PUBCHEM-ZINC06761095