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NCID-ZINC05664307

 MMsINC code: MMs02485048
Type: Neutral
Formula: C13H17NO9
SMILES:   O1C2OC(=O)NC2C(OC(=O)C)C(OC(=O)C)C1COC(=O)C
InChI:   InChI=1/C13H17NO9/c1-5(15)19-4-8-10(20-6(2)16)11(21-7(3)17)9-12(22-8)23-13(18)14-9/h8-12H,4H2,1-3H3,(H,14,18)/t8-,9+,10+,11+,12-/m0/s1

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Potential Energy
Epot(MMFF94)=62.3539 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.277 g/mol  logS: -1.40757  SlogP: -0.7538  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153177  Sterimol/B1: 3.01177  Sterimol/B2: 4.73497  Sterimol/B3: 5.47138
  Sterimol/B4: 7.79799  Sterimol/L: 13.8796 
 
 Surface and Volume Properties
  Accessible surface: 543.665  Positive charged surface: 315.355  Negative charged surface: 228.31  Volume: 275.75
  Hydrophobic surface: 311.46  Hydrophilic surface: 232.205
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.