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PUBCHEM-ZINC04530861

 MMsINC code: MMs03129680
Type: Neutral
Formula: C10H16O6
SMILES:   O1C2C3C(OC(O)CC3O)OC2OC1(C)C
InChI:   InChI=1/C10H16O6/c1-10(2)15-7-6-4(11)3-5(12)13-8(6)14-9(7)16-10/h4-9,11-12H,3H2,1-2H3/t4-,5-,6-,7-,8-,9-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.451 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.232 g/mol  logS: -0.83321  SlogP: -0.4639  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136653  Sterimol/B1: 2.37596  Sterimol/B2: 3.90406  Sterimol/B3: 4.41382
  Sterimol/B4: 4.86838  Sterimol/L: 12.3669 
 
 Surface and Volume Properties
  Accessible surface: 416.257  Positive charged surface: 290.171  Negative charged surface: 126.086  Volume: 202.75
  Hydrophobic surface: 214.2  Hydrophilic surface: 202.057
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.