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PUBCHEM-ZINC06379183

 MMsINC code: MMs03692450
Type: Neutral
Formula: C17H24O10
SMILES:   O1C(CO)C(O)C(O)C(O)C1OC1OC=C(C(OC)=O)C(CC=O)C1C=C
InChI:   InChI=1/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9-,11-,12+,13+,14+,16-,17+/m0/s1

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Potential Energy
Epot(MMFF94)=119.772 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.369 g/mol  logS: -0.0731  SlogP: -1.7765  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.114456  Sterimol/B1: 4.27705  Sterimol/B2: 4.51755  Sterimol/B3: 4.82408
  Sterimol/B4: 6.63398  Sterimol/L: 16.1787 
 
 Surface and Volume Properties
  Accessible surface: 610.847  Positive charged surface: 452.175  Negative charged surface: 158.672  Volume: 338.75
  Hydrophobic surface: 340.53  Hydrophilic surface: 270.317
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.