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NCID-ZINC04428329

 MMsINC code: MMs02386746
Type: Neutral
Formula: C15H25NO7
SMILES:   O(C(C(=O)N(CC(OC(=O)C)C)CC(OC(=O)C)C)C)C(=O)C
InChI:   InChI=1/C15H25NO7/c1-9(21-12(4)17)7-16(8-10(2)22-13(5)18)15(20)11(3)23-14(6)19/h9-11H,7-8H2,1-6H3/t9-,10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=61.8411 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.365 g/mol  logS: -1.88534  SlogP: 0.6698  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.278299  Sterimol/B1: 2.5407  Sterimol/B2: 3.69502  Sterimol/B3: 6.31111
  Sterimol/B4: 8.23381  Sterimol/L: 14.3946 
 
 Surface and Volume Properties
  Accessible surface: 602.83  Positive charged surface: 361.739  Negative charged surface: 241.091  Volume: 318.375
  Hydrophobic surface: 413.294  Hydrophilic surface: 189.536
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.