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PUBCHEM-ZINC06264829

 MMsINC code: MMs03646579
Type: Neutral
Formula: C14H28N2O3
SMILES:   O(C(=O)C(NC(=O)N(CCC)CCC)C(CC)C)C
InChI:   InChI=1/C14H28N2O3/c1-6-9-16(10-7-2)14(18)15-12(11(4)8-3)13(17)19-5/h11-12H,6-10H2,1-5H3,(H,15,18)/t11-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=15.9816 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.389 g/mol  logS: -2.21044  SlogP: 2.4057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.330933  Sterimol/B1: 2.72775  Sterimol/B2: 4.62917  Sterimol/B3: 5.59447
  Sterimol/B4: 7.26114  Sterimol/L: 13.0189 
 
 Surface and Volume Properties
  Accessible surface: 561.083  Positive charged surface: 418.038  Negative charged surface: 143.045  Volume: 293.125
  Hydrophobic surface: 430.608  Hydrophilic surface: 130.475
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.