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NCID-ZINC01656899

MMsINC code: MMs02295155

Type: Neutral
Formula: C15H26N2O5
SMILES:   O(C(C)(C)C)C(=O)N(C(C(=O)NC(C(OC)=O)C)C)CC=C
InChI:   InChI=1/C15H26N2O5/c1-8-9-17(14(20)22-15(4,5)6)11(3)12(18)16-10(2)13(19)21-7/h8,10-11H,1,9H2,2-7H3,(H,16,18)/t10-,11+/m0/s1

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Potential Energy
Epot(MMFF94)=65.2521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.382 g/mol  logS: -2.44696  SlogP: 1.4757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0948332  Sterimol/B1: 3.20687  Sterimol/B2: 3.25446  Sterimol/B3: 4.39811
  Sterimol/B4: 7.36812  Sterimol/L: 16.4484 
 
 Surface and Volume Properties
  Accessible surface: 592.919  Positive charged surface: 418.442  Negative charged surface: 174.477  Volume: 314.875
  Hydrophobic surface: 387.99  Hydrophilic surface: 204.929
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.