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NCID-ZINC05368658

 MMsINC code: MMs02454978
Type: Neutral
Formula: C6H12O12
SMILES:   OC1(O)C(O)(O)C(O)(O)C(O)(O)C(O)(O)C1(O)O
InChI:   InChI=1/C6H12O12/c7-1(8)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12/h7-18H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=160.393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.15 g/mol  logS: 2.35534  SlogP: -7.9146  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.479019  Sterimol/B1: 3.02815  Sterimol/B2: 3.41702  Sterimol/B3: 3.68506
  Sterimol/B4: 6.0804  Sterimol/L: 9.20036 
 
 Surface and Volume Properties
  Accessible surface: 370.932  Positive charged surface: 243.652  Negative charged surface: 127.28  Volume: 186.75
  Hydrophobic surface: 0  Hydrophilic surface: 370.932
 
 Pharmacophoric Properties
  Hydrogen bond donors: 12  Hydrogen bond acceptors: 12  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.