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NCID-ZINC04156107

 MMsINC code: MMs02382946
Type: Neutral
Formula: C10H20O6
SMILES:   O1C(COC)C(OC)C(OC)C(OC)C1O
InChI:   InChI=1/C10H20O6/c1-12-5-6-7(13-2)8(14-3)9(15-4)10(11)16-6/h6-11H,5H2,1-4H3/t6-,7-,8-,9-,10+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.264 g/mol  logS: -0.13077  SlogP: -0.605  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176723  Sterimol/B1: 2.93127  Sterimol/B2: 3.77566  Sterimol/B3: 4.11257
  Sterimol/B4: 6.81699  Sterimol/L: 12.9802 
 
 Surface and Volume Properties
  Accessible surface: 462.874  Positive charged surface: 432.216  Negative charged surface: 30.6587  Volume: 226.75
  Hydrophobic surface: 399.689  Hydrophilic surface: 63.185
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.