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PUBCHEM-ZINC05273647

 MMsINC code: MMs03229134
Type: Neutral
Formula: C15H28O11
SMILES:   O1C(CO)C(O)C(O)C(O)C1OC1C(O)C(O)C(OC1CO)OCCC
InChI:   InChI=1/C15H28O11/c1-2-3-23-14-12(22)10(20)13(7(5-17)25-14)26-15-11(21)9(19)8(18)6(4-16)24-15/h6-22H,2-5H2,1H3/t6-,7-,8+,9+,10-,11+,12+,13+,14+,15+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.378 g/mol  logS: 0.66856  SlogP: -3.9629  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105306  Sterimol/B1: 3.952  Sterimol/B2: 4.0179  Sterimol/B3: 4.37904
  Sterimol/B4: 5.69425  Sterimol/L: 16.3869 
 
 Surface and Volume Properties
  Accessible surface: 611.9  Positive charged surface: 499.835  Negative charged surface: 112.065  Volume: 334.125
  Hydrophobic surface: 305.259  Hydrophilic surface: 306.641
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 11  Acid groups: 0  Basic groups: 0
  Chiral centers: 10
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.