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PUBCHEM-ZINC04696098

 MMsINC code: MMs03158619
Type: Neutral
Formula: C16H28N2O4
SMILES:   O(C(=O)C1CCN(CC1)C(=O)CCC(=O)NCCCC)CC
InChI:   InChI=1/C16H28N2O4/c1-3-5-10-17-14(19)6-7-15(20)18-11-8-13(9-12-18)16(21)22-4-2/h13H,3-12H2,1-2H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=9.58845 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.41 g/mol  logS: -1.68197  SlogP: 1.4846  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0247469  Sterimol/B1: 2.83878  Sterimol/B2: 4.08122  Sterimol/B3: 4.14203
  Sterimol/B4: 5.73758  Sterimol/L: 21.4841 
 
 Surface and Volume Properties
  Accessible surface: 631.94  Positive charged surface: 496.3  Negative charged surface: 135.64  Volume: 318.125
  Hydrophobic surface: 476.244  Hydrophilic surface: 155.696
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.