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PUBCHEM-ZINC05309254

 MMsINC code: MMs03236614
Type: Neutral
Formula: C14H31NO
SMILES:   OCCCCCCCCCCNCCCC
InChI:   InChI=1/C14H31NO/c1-2-3-12-15-13-10-8-6-4-5-7-9-11-14-16/h15-16H,2-14H2,1H3

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Potential Energy
Epot(MMFF94)=-3.44747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.408 g/mol  logS: -3.0671  SlogP: 3.4892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0143797  Sterimol/B1: 2.16247  Sterimol/B2: 2.40913  Sterimol/B3: 2.49337
  Sterimol/B4: 3.1533  Sterimol/L: 23.0822 
 
 Surface and Volume Properties
  Accessible surface: 593.958  Positive charged surface: 506.378  Negative charged surface: 87.5798  Volume: 283
  Hydrophobic surface: 497.139  Hydrophilic surface: 96.819
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs03236615
PUBCHEM-ZINC05309254