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PUBCHEM-ZINC04095691

 MMsINC code: MMs03089493
Type: Neutral
Formula: C10H18O9
SMILES:   O1CC(O)C(O)C(O)C1OC1COC(O)C(O)C1O
InChI:   InChI=1/C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.9736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.245 g/mol  logS: 1.13764  SlogP: -4.119  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108661  Sterimol/B1: 2.48193  Sterimol/B2: 2.56748  Sterimol/B3: 4.59255
  Sterimol/B4: 5.54393  Sterimol/L: 13.8379 
 
 Surface and Volume Properties
  Accessible surface: 476.294  Positive charged surface: 357.812  Negative charged surface: 118.482  Volume: 229.875
  Hydrophobic surface: 188.562  Hydrophilic surface: 287.732
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.