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PUBCHEM-ZINC05464450

 MMsINC code: MMs03277223
Type: Neutral
Formula: C15H31NO
SMILES:   O=C(NC(CCCCC)C)C(CCCC)CC
InChI:   InChI=1/C15H31NO/c1-5-8-10-11-13(4)16-15(17)14(7-3)12-9-6-2/h13-14H,5-12H2,1-4H3,(H,16,17)/t13-,14+/m1/s1

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Potential Energy
Epot(MMFF94)=11.1669 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.419 g/mol  logS: -4.63674  SlogP: 4.2878  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0573035  Sterimol/B1: 2.9006  Sterimol/B2: 3.92761  Sterimol/B3: 4.66773
  Sterimol/B4: 6.46727  Sterimol/L: 17.1595 
 
 Surface and Volume Properties
  Accessible surface: 569.584  Positive charged surface: 436.372  Negative charged surface: 133.212  Volume: 290.5
  Hydrophobic surface: 456.194  Hydrophilic surface: 113.39
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.