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PUBCHEM-ZINC06121904

 MMsINC code: MMs03548878
Type: Neutral
Formula: C15H27NO
SMILES:   O=C(N1CCCCC1CC)CCC1CCCC1
InChI:   InChI=1/C15H27NO/c1-2-14-9-5-6-12-16(14)15(17)11-10-13-7-3-4-8-13/h13-14H,2-12H2,1H3/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=50.7028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.387 g/mol  logS: -3.62344  SlogP: 3.7479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0655449  Sterimol/B1: 2.53239  Sterimol/B2: 2.87637  Sterimol/B3: 3.76953
  Sterimol/B4: 7.46025  Sterimol/L: 14.1916 
 
 Surface and Volume Properties
  Accessible surface: 501.478  Positive charged surface: 411.192  Negative charged surface: 90.2863  Volume: 266.875
  Hydrophobic surface: 461.943  Hydrophilic surface: 39.535
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.