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NCID-ZINC05957076

 MMsINC code: MMs02513696
Type: Neutral
Formula: C15H24N2O9
SMILES:   O(C(=O)C(NC(=O)NC(C(OCC)=O)C(OCC)=O)C(OCC)=O)CC
InChI:   InChI=1/C15H24N2O9/c1-5-23-11(18)9(12(19)24-6-2)16-15(22)17-10(13(20)25-7-3)14(21)26-8-4/h9-10H,5-8H2,1-4H3,(H2,16,17,22)

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Potential Energy
Epot(MMFF94)=36.7322 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.362 g/mol  logS: -2.54585  SlogP: -0.7248  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0245973  Sterimol/B1: 2.57269  Sterimol/B2: 2.83153  Sterimol/B3: 3.36061
  Sterimol/B4: 7.68784  Sterimol/L: 18.6847 
 
 Surface and Volume Properties
  Accessible surface: 684.055  Positive charged surface: 484.552  Negative charged surface: 199.503  Volume: 340.5
  Hydrophobic surface: 421.18  Hydrophilic surface: 262.875
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.