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PUBCHEM-ZINC05735155

 MMsINC code: MMs03365203
Type: Neutral
Formula: C19H38O10
SMILES:   O1C(COC(CO)C)C(OC(CO)C)C(OC(CO)C)C(OC(CO)C)C1OC
InChI:   InChI=1/C19H38O10/c1-11(6-20)25-10-15-16(26-12(2)7-21)17(27-13(3)8-22)18(19(24-5)29-15)28-14(4)9-23/h11-23H,6-10H2,1-5H3/t11-,12-,13-,14-,15+,16-,17-,18-,19+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=163.173 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.503 g/mol  logS: -0.97463  SlogP: -0.9469  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.329986  Sterimol/B1: 4.49338  Sterimol/B2: 5.18016  Sterimol/B3: 6.46772
  Sterimol/B4: 6.97773  Sterimol/L: 15.4083 
 
 Surface and Volume Properties
  Accessible surface: 690.04  Positive charged surface: 574.145  Negative charged surface: 115.894  Volume: 415.25
  Hydrophobic surface: 456.936  Hydrophilic surface: 233.104
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 10  Acid groups: 0  Basic groups: 0
  Chiral centers: 9
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.