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NCID-ZINC01697993

 MMsINC code: MMs02328396
Type: Neutral
Formula: C13H22N2O5
SMILES:   O(C(C)(C)C)C(=O)NCC(=O)N1CCCC1C(OC)=O
InChI:   InChI=1/C13H22N2O5/c1-13(2,3)20-12(18)14-8-10(16)15-7-5-6-9(15)11(17)19-4/h9H,5-8H2,1-4H3,(H,14,18)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=54.8781 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.328 g/mol  logS: -1.84869  SlogP: 0.6751  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0468503  Sterimol/B1: 1.969  Sterimol/B2: 4.71398  Sterimol/B3: 4.87207
  Sterimol/B4: 5.00523  Sterimol/L: 16.2241 
 
 Surface and Volume Properties
  Accessible surface: 550.347  Positive charged surface: 414.543  Negative charged surface: 135.803  Volume: 274.5
  Hydrophobic surface: 393.221  Hydrophilic surface: 157.126
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.