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NCID-ZINC01682449

 MMsINC code: MMs02316191
Type: Neutral
Formula: C5H8O6
SMILES:   O(C(=O)C(O)C(O)C(O)=O)C
InChI:   InChI=1/C5H8O6/c1-11-5(10)3(7)2(6)4(8)9/h2-3,6-7H,1H3,(H,8,9)/t2-,3+/m1/s1

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Potential Energy
Epot(MMFF94)=32.9485 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.113 g/mol  logS: 0.41053  SlogP: -2.0342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0714706  Sterimol/B1: 2.88831  Sterimol/B2: 3.09559  Sterimol/B3: 3.23294
  Sterimol/B4: 3.83112  Sterimol/L: 10.8624 
 
 Surface and Volume Properties
  Accessible surface: 329.373  Positive charged surface: 223.216  Negative charged surface: 106.157  Volume: 133.75
  Hydrophobic surface: 123.879  Hydrophilic surface: 205.494
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02316192
NCID-ZINC01682449