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NCID-ZINC01682448

 MMsINC code: MMs02316189
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)=30.142 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: 0.13054  Sterimol/B1: 2.63968  Sterimol/B2: 3.12154  Sterimol/B3: 3.27032
  Sterimol/B4: 3.7964  Sterimol/L: 10.5731 
 
 Surface and Volume Properties
  Accessible surface: 327.866  Positive charged surface: 213.664  Negative charged surface: 114.202  Volume: 132.375
  Hydrophobic surface: 125.015  Hydrophilic surface: 202.851
 
 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


MMs02316190
NCID-ZINC01682448