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PUBCHEM-ZINC06042213

 MMsINC code: MMs03509057
Type: Neutral
Formula: C18H37NO
SMILES:   O=C(N(CCCCC)CCCCC)C(CCCC)CC
InChI:   InChI=1/C18H37NO/c1-5-9-12-15-19(16-13-10-6-2)18(20)17(8-4)14-11-7-3/h17H,5-16H2,1-4H3/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=27.4873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.5 g/mol  logS: -5.24774  SlogP: 5.4118  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120418  Sterimol/B1: 3.40542  Sterimol/B2: 3.49112  Sterimol/B3: 4.78511
  Sterimol/B4: 10.9156  Sterimol/L: 16.1429 
 
 Surface and Volume Properties
  Accessible surface: 644.395  Positive charged surface: 491.894  Negative charged surface: 152.501  Volume: 341.25
  Hydrophobic surface: 537.002  Hydrophilic surface: 107.393
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.