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NCID-ZINC01657628

 MMsINC code: MMs02295705
Type: Neutral
Formula: C14H24N2O5
SMILES:   O(C(C)(C)C)C(=O)N1CCCCC1C(=O)NCC(OC)=O
InChI:   InChI=1/C14H24N2O5/c1-14(2,3)21-13(19)16-8-6-5-7-10(16)12(18)15-9-11(17)20-4/h10H,5-9H2,1-4H3,(H,15,18)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=80.1977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.355 g/mol  logS: -2.05046  SlogP: 1.0652  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.105783  Sterimol/B1: 2.68881  Sterimol/B2: 2.80812  Sterimol/B3: 4.22975
  Sterimol/B4: 9.23952  Sterimol/L: 14.5863 
 
 Surface and Volume Properties
  Accessible surface: 560.61  Positive charged surface: 434.733  Negative charged surface: 125.877  Volume: 289
  Hydrophobic surface: 420.34  Hydrophilic surface: 140.27
 
 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.