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NCID-ZINC05369242

 MMsINC code: MMs02455371
Type: Neutral
Formula: C17H32O10
SMILES:   O1C(CO)C(O)C2OCCOCCOCCOCCOCCOC2C1OC
InChI:   InChI=1/C17H32O10/c1-20-17-16-15(14(19)13(12-18)27-17)25-10-8-23-6-4-21-2-3-22-5-7-24-9-11-26-16/h13-19H,2-12H2,1H3/t13-,14+,15+,16+,17+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=157.292 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.433 g/mol  logS: -0.50499  SlogP: -1.4387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116807  Sterimol/B1: 2.26803  Sterimol/B2: 5.40828  Sterimol/B3: 6.5556
  Sterimol/B4: 6.68559  Sterimol/L: 16.4332 
 
 Surface and Volume Properties
  Accessible surface: 651.603  Positive charged surface: 597.593  Negative charged surface: 54.0103  Volume: 370.5
  Hydrophobic surface: 540.712  Hydrophilic surface: 110.891
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 10  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.