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PUBCHEM-ZINC02042215

 MMsINC code: MMs02863433
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-/m0/s1

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Potential Energy
Epot(MMFF94)=23.3681 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: 0.11305  Sterimol/B1: 2.44837  Sterimol/B2: 3.43897  Sterimol/B3: 4.26355
  Sterimol/B4: 8.01958  Sterimol/L: 14.2705 
 
 Surface and Volume Properties
  Accessible surface: 499.34  Positive charged surface: 393.998  Negative charged surface: 105.343  Volume: 257.375
  Hydrophobic surface: 417.313  Hydrophilic surface: 82.027
 
 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.