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PUBCHEM-ZINC05466585

 MMsINC code: MMs03277914
Type: Neutral
Formula: C15H29NO
SMILES:   O=C(N1CC(CC(C1)C)C)C(CCCC)CC
InChI:   InChI=1/C15H29NO/c1-5-7-8-14(6-2)15(17)16-10-12(3)9-13(4)11-16/h12-14H,5-11H2,1-4H3/t12-,13-,14+/m0/s1

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Potential Energy
Epot(MMFF94)=32.1417 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.403 g/mol  logS: -3.28659  SlogP: 3.7073  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188858  Sterimol/B1: 2.63658  Sterimol/B2: 4.14376  Sterimol/B3: 4.24392
  Sterimol/B4: 7.95989  Sterimol/L: 13.0449 
 
 Surface and Volume Properties
  Accessible surface: 513.111  Positive charged surface: 388.634  Negative charged surface: 124.477  Volume: 277.625
  Hydrophobic surface: 410.928  Hydrophilic surface: 102.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.