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PUBCHEM-ZINC05466983

 MMsINC code: MMs03278024
Type: Neutral
Formula: C17H33NO
SMILES:   O=C(NCC(CCCC)CC)CCC1CCCCC1
InChI:   InChI=1/C17H33NO/c1-3-5-9-15(4-2)14-18-17(19)13-12-16-10-7-6-8-11-16/h15-16H,3-14H2,1-2H3,(H,18,19)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=24.5847 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.457 g/mol  logS: -5.75315  SlogP: 4.6795  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362402  Sterimol/B1: 2.54795  Sterimol/B2: 3.80648  Sterimol/B3: 4.10761
  Sterimol/B4: 4.20569  Sterimol/L: 19.8422 
 
 Surface and Volume Properties
  Accessible surface: 587.543  Positive charged surface: 459.832  Negative charged surface: 127.711  Volume: 312.125
  Hydrophobic surface: 506.093  Hydrophilic surface: 81.45
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.