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NCID-ZINC01746943

 MMsINC code: MMs02360970
Type: Neutral
Formula: C14H27NO
SMILES:   O=C(NCC)CC(CC1CCCCC1)CC
InChI:   InChI=1/C14H27NO/c1-3-12(11-14(16)15-4-2)10-13-8-6-5-7-9-13/h12-13H,3-11H2,1-2H3,(H,15,16)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=23.2826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.376 g/mol  logS: -4.83439  SlogP: 3.5092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106999  Sterimol/B1: 2.44146  Sterimol/B2: 3.44629  Sterimol/B3: 4.38662
  Sterimol/B4: 7.6287  Sterimol/L: 14.5103 
 
 Surface and Volume Properties
  Accessible surface: 501.646  Positive charged surface: 399.948  Negative charged surface: 101.698  Volume: 259.625
  Hydrophobic surface: 421.691  Hydrophilic surface: 79.955
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.