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NCID-ZINC05063411

 MMsINC code: MMs02435120
Type: Neutral
Formula: C8H16O6
SMILES:   O1C(C(O)CO)C(O)C(O)C1OCC
InChI:   InChI=1/C8H16O6/c1-2-13-8-6(12)5(11)7(14-8)4(10)3-9/h4-12H,2-3H2,1H3/t4-,5+,6+,7+,8+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.7122 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.21 g/mol  logS: 0.57756  SlogP: -2.1772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135907  Sterimol/B1: 2.76462  Sterimol/B2: 2.95739  Sterimol/B3: 3.6769
  Sterimol/B4: 6.16957  Sterimol/L: 11.8902 
 
 Surface and Volume Properties
  Accessible surface: 419.557  Positive charged surface: 330.926  Negative charged surface: 88.631  Volume: 188.375
  Hydrophobic surface: 215.376  Hydrophilic surface: 204.181
 
 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.