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NCID-ZINC05030941

 MMsINC code: MMs02430723
Type: Neutral
Formula: C6H10O6
SMILES:   OC(C(O)C(=O)C=O)C(O)CO
InChI:   InChI=1/C6H10O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,4-6,8,10-12H,2H2/t4-,5-,6+/m1/s1

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Potential Energy
Epot(MMFF94)=59.1477 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.14 g/mol  logS: 0.85572  SlogP: -3.1706  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.135546  Sterimol/B1: 2.50898  Sterimol/B2: 3.07898  Sterimol/B3: 3.91101
  Sterimol/B4: 4.09559  Sterimol/L: 11.615 
 
 Surface and Volume Properties
  Accessible surface: 339.46  Positive charged surface: 206.111  Negative charged surface: 133.349  Volume: 148.5
  Hydrophobic surface: 86.1623  Hydrophilic surface: 253.2977
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs02430724
NCID-ZINC05030941