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NCID-ZINC05732068

 MMsINC code: MMs02491312
Type: Neutral
Formula: C7H14O6
SMILES:   O1C(CO)C(OC)C(O)C(O)C1O
InChI:   InChI=1/C7H14O6/c1-12-6-3(2-8)13-7(11)5(10)4(6)9/h3-11H,2H2,1H3/t3-,4+,5-,6+,7+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.0835 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.183 g/mol  logS: 0.90477  SlogP: -2.5673  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.234657  Sterimol/B1: 2.11441  Sterimol/B2: 2.73724  Sterimol/B3: 3.99702
  Sterimol/B4: 7.03938  Sterimol/L: 9.48851 
 
 Surface and Volume Properties
  Accessible surface: 369.015  Positive charged surface: 302.376  Negative charged surface: 66.6392  Volume: 169.625
  Hydrophobic surface: 182.614  Hydrophilic surface: 186.401
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.