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MAYBRIDGE-ZINC01318714

 MMsINC code: MMs02157793
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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Potential Energy
Epot(MMFF94)=66.1311 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: 0.0552872  Sterimol/B1: 2.98312  Sterimol/B2: 3.68848  Sterimol/B3: 4.69313
  Sterimol/B4: 8.37479  Sterimol/L: 15.5733 
 
 Surface and Volume Properties
  Accessible surface: 627.956  Positive charged surface: 418.518  Negative charged surface: 209.438  Volume: 319.5
  Hydrophobic surface: 493.56  Hydrophilic surface: 134.396
 
 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.