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NCID-ZINC04403119

 MMsINC code: MMs02384586
Type: Neutral
Formula: C15H22O10
SMILES:   O(C(C(OC(=O)C)COC(=O)C)C(OC(=O)C)COC(=O)C)C(=O)C
InChI:   InChI=1/C15H22O10/c1-8(16)21-6-13(23-10(3)18)15(25-12(5)20)14(24-11(4)19)7-22-9(2)17/h13-15H,6-7H2,1-5H3/t13-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=50.0808 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.331 g/mol  logS: -1.66819  SlogP: -0.0923  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126987  Sterimol/B1: 3.31351  Sterimol/B2: 5.38822  Sterimol/B3: 5.62702
  Sterimol/B4: 6.64091  Sterimol/L: 16.6226 
 
 Surface and Volume Properties
  Accessible surface: 635.015  Positive charged surface: 389.483  Negative charged surface: 245.533  Volume: 323
  Hydrophobic surface: 483.796  Hydrophilic surface: 151.219
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.