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PUBCHEM-ZINC06616185

 MMsINC code: MMs03821425
Type: Neutral
Formula: C15H30N2O4
SMILES:   O(C(C)(C)C)C(=O)NC(CC(C)C)C(=O)NCCCOC
InChI:   InChI=1/C15H30N2O4/c1-11(2)10-12(13(18)16-8-7-9-20-6)17-14(19)21-15(3,4)5/h11-12H,7-10H2,1-6H3,(H,16,18)(H,17,19)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=51.0567 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.415 g/mol  logS: -2.89796  SlogP: 2.0785  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0500927  Sterimol/B1: 2.06037  Sterimol/B2: 2.56999  Sterimol/B3: 4.22893
  Sterimol/B4: 8.14927  Sterimol/L: 18.9806 
 
 Surface and Volume Properties
  Accessible surface: 612.413  Positive charged surface: 474.913  Negative charged surface: 137.501  Volume: 317.125
  Hydrophobic surface: 441.31  Hydrophilic surface: 171.103
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.