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MAYBRIDGE-ZINC04336555

 MMsINC code: MMs02168729
Type: Neutral
Formula: C15H22O10
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC
InChI:   InChI=1/C15H22O10/c1-7(16)21-6-11-12(22-8(2)17)13(23-9(3)18)14(24-10(4)19)15(20-5)25-11/h11-15H,6H2,1-5H3/t11-,12-,13+,14-,15+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.9592 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.331 g/mol  logS: -1.56751  SlogP: -0.2841  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0855606  Sterimol/B1: 3.68023  Sterimol/B2: 3.78413  Sterimol/B3: 4.22951
  Sterimol/B4: 8.31748  Sterimol/L: 15.5725 
 
 Surface and Volume Properties
  Accessible surface: 623.403  Positive charged surface: 409.787  Negative charged surface: 213.616  Volume: 317.625
  Hydrophobic surface: 480.621  Hydrophilic surface: 142.782
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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: 1
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Ions/Tautomers related molecules: no related molecules available.