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NCID-ZINC01700206

 MMsINC code: MMs02329983
Type: Neutral
Formula: C9H16O6
SMILES:   O(C(=O)C)CC(COC(=O)C)(CO)CO
InChI:   InChI=1/C9H16O6/c1-7(12)14-5-9(3-10,4-11)6-15-8(2)13/h10-11H,3-6H2,1-2H3

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Potential Energy
Epot(MMFF94)=23.9116 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.221 g/mol  logS: 0.03259  SlogP: -0.9164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113669  Sterimol/B1: 2.86305  Sterimol/B2: 3.75829  Sterimol/B3: 4.55347
  Sterimol/B4: 4.55441  Sterimol/L: 14.3285 
 
 Surface and Volume Properties
  Accessible surface: 452.173  Positive charged surface: 320.358  Negative charged surface: 131.815  Volume: 202.625
  Hydrophobic surface: 284.257  Hydrophilic surface: 167.916
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.