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NCID-ZINC05084879

 MMsINC code: MMs02438573
Type: Neutral
Formula: C7H12O6
SMILES:   O1C(C=O)C(O)C(O)C(O)C1OC
InChI:   InChI=1/C7H12O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h2-7,9-11H,1H3/t3-,4+,5+,6+,7-/m0/s1

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Potential Energy
Epot(MMFF94)=77.7054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.167 g/mol  logS: 0.66968  SlogP: -2.3607  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.216347  Sterimol/B1: 3.09288  Sterimol/B2: 3.35883  Sterimol/B3: 4.51391
  Sterimol/B4: 4.89457  Sterimol/L: 9.95528 
 
 Surface and Volume Properties
  Accessible surface: 363.01  Positive charged surface: 284.577  Negative charged surface: 78.4329  Volume: 162
  Hydrophobic surface: 183.027  Hydrophilic surface: 179.983
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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: no related molecules available.