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ACROSORGANICS-ZINC01532740

 MMsINC code: MMs00009077
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+/m1/s1

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Potential Energy
Epot(MMFF94)=67.3333 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: 0.151953  Sterimol/B1: 2.5945  Sterimol/B2: 3.05195  Sterimol/B3: 3.3494
  Sterimol/B4: 3.70391  Sterimol/L: 11.5738 
 
 Surface and Volume Properties
  Accessible surface: 359.221  Positive charged surface: 206.389  Negative charged surface: 152.832  Volume: 160.625
  Hydrophobic surface: 62.108  Hydrophilic surface: 297.113
 
 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


MMs00009078
ACROSORGANICS-ZINC01532740