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PUBCHEM-ZINC05464496

 MMsINC code: MMs03277231
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)=9.11855 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: 0.0538328  Sterimol/B1: 2.70047  Sterimol/B2: 3.28736  Sterimol/B3: 3.53332
  Sterimol/B4: 8.26864  Sterimol/L: 15.0197 
 
 Surface and Volume Properties
  Accessible surface: 568.889  Positive charged surface: 430.778  Negative charged surface: 138.111  Volume: 289.875
  Hydrophobic surface: 452.835  Hydrophilic surface: 116.054
 
 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.