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NCID-ZINC04557050

 MMsINC code: MMs02391274
Type: Neutral
Formula: C15H20O11
SMILES:   O1C(C(OC)=O)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C
InChI:   InChI=1/C15H20O11/c1-6(16)22-10-11(23-7(2)17)13(24-8(3)18)15(25-9(4)19)26-12(10)14(20)21-5/h10-13,15H,1-5H3/t10-,11+,12+,13+,15-/m0/s1

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Potential Energy
Epot(MMFF94)=66.1738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.314 g/mol  logS: -1.83304  SlogP: -0.7575  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.403912  Sterimol/B1: 2.05113  Sterimol/B2: 3.1209  Sterimol/B3: 6.15907
  Sterimol/B4: 10.7816  Sterimol/L: 13.1659 
 
 Surface and Volume Properties
  Accessible surface: 605.133  Positive charged surface: 393.203  Negative charged surface: 211.93  Volume: 318.875
  Hydrophobic surface: 451.015  Hydrophilic surface: 154.118
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.