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NCID-ZINC01708550

 MMsINC code: MMs02336362
Type: Neutral
Formula: C9H14O7
SMILES:   O(C(OC)(C(=O)C(O)C(=O)C(OC)=O)C)C
InChI:   InChI=1/C9H14O7/c1-9(15-3,16-4)7(12)5(10)6(11)8(13)14-2/h5,10H,1-4H3/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=62.549 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.204 g/mol  logS: -1.12732  SlogP: -1.3325  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13604  Sterimol/B1: 2.44381  Sterimol/B2: 2.58228  Sterimol/B3: 4.77982
  Sterimol/B4: 5.72849  Sterimol/L: 13.1625 
 
 Surface and Volume Properties
  Accessible surface: 422.966  Positive charged surface: 303.632  Negative charged surface: 119.334  Volume: 205.5
  Hydrophobic surface: 272.927  Hydrophilic surface: 150.039
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.