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PUBCHEM-ZINC04652593

 MMsINC code: MMs03146998
Type: Neutral
Formula: C15H30N2O2
SMILES:   O=C(NCCCCCCCCCNC(=O)CC)CC
InChI:   InChI=1/C15H30N2O2/c1-3-14(18)16-12-10-8-6-5-7-9-11-13-17-15(19)4-2/h3-13H2,1-2H3,(H,16,18)(H,17,19)

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Potential Energy
Epot(MMFF94)=-2.10189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.417 g/mol  logS: -2.70668  SlogP: 2.7695  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0106997  Sterimol/B1: 2.37523  Sterimol/B2: 2.37549  Sterimol/B3: 2.94085
  Sterimol/B4: 2.99796  Sterimol/L: 24.544 
 
 Surface and Volume Properties
  Accessible surface: 635.257  Positive charged surface: 509.998  Negative charged surface: 125.259  Volume: 302.75
  Hydrophobic surface: 494.762  Hydrophilic surface: 140.495
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.