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PUBCHEM-ZINC04097165

 MMsINC code: MMs03090318
Type: Neutral
Formula: C6H10O7
SMILES:   O1C(C(O)=O)C(O)C(O)C(O)C1O
InChI:   InChI=1/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3-,4+,6-/m0/s1

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Potential Energy
Epot(MMFF94)=50.1316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.139 g/mol  logS: 1.05157  SlogP: -3.1291  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.200151  Sterimol/B1: 2.39944  Sterimol/B2: 3.17745  Sterimol/B3: 3.42978
  Sterimol/B4: 5.68416  Sterimol/L: 10.6048 
 
 Surface and Volume Properties
  Accessible surface: 343.314  Positive charged surface: 229.064  Negative charged surface: 114.25  Volume: 150.5
  Hydrophobic surface: 74.8276  Hydrophilic surface: 268.4864
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03090319
PUBCHEM-ZINC04097165