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PUBCHEM-ZINC00031800

 MMsINC code: MMs02627717
Type: Neutral
Formula: C14H27NO
SMILES:   O=C(NC(CC)CC)CCC1CCCCC1
InChI:   InChI=1/C14H27NO/c1-3-13(4-2)15-14(16)11-10-12-8-6-5-7-9-12/h12-13H,3-11H2,1-2H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=18.1614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.376 g/mol  logS: -4.01948  SlogP: 3.6517  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0826105  Sterimol/B1: 2.16995  Sterimol/B2: 3.55861  Sterimol/B3: 4.19162
  Sterimol/B4: 7.22211  Sterimol/L: 14.9882 
 
 Surface and Volume Properties
  Accessible surface: 503.424  Positive charged surface: 396.996  Negative charged surface: 106.428  Volume: 260.875
  Hydrophobic surface: 435.904  Hydrophilic surface: 67.52
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.