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PUBCHEM-ZINC05157077

 MMsINC code: MMs03213518
Type: Neutral
Formula: C13H24O10
SMILES:   O1C(CO)C(O)C(O)C(O)C1OC1C(O)C(CC(O)C1O)CO
InChI:   InChI=1/C13H24O10/c14-2-4-1-5(16)8(18)12(7(4)17)23-13-11(21)10(20)9(19)6(3-15)22-13/h4-21H,1-3H2/t4-,5-,6+,7+,8-,9-,10-,11-,12+,13-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.514 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.325 g/mol  logS: 1.28799  SlogP: -4.7336  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0932689  Sterimol/B1: 3.38594  Sterimol/B2: 3.6185  Sterimol/B3: 4.58626
  Sterimol/B4: 5.47  Sterimol/L: 14.5399 
 
 Surface and Volume Properties
  Accessible surface: 540  Positive charged surface: 443.772  Negative charged surface: 96.2282  Volume: 288.5
  Hydrophobic surface: 233.393  Hydrophilic surface: 306.607
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 10  Acid groups: 0  Basic groups: 0
  Chiral centers: 10
 
 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.