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PUBCHEM-ZINC05309254

 MMsINC code: MMs03236615
Type: Ionized
Formula: C14H32NO+
SMILES:   OCCCCCCCCCC[NH2+]CCCC
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/p+1

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Potential Energy
Epot(MMFF94)=-0.0252049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.416 g/mol  logS: -3.04271  SlogP: 2.463  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0147861  Sterimol/B1: 2.15465  Sterimol/B2: 2.39379  Sterimol/B3: 2.5024
  Sterimol/B4: 3.39648  Sterimol/L: 22.8957 
 
 Surface and Volume Properties
  Accessible surface: 598.808  Positive charged surface: 512.3  Negative charged surface: 86.5076  Volume: 282.75
  Hydrophobic surface: 493.163  Hydrophilic surface: 105.645
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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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Parent related molecule:


MMs03236614
PUBCHEM-ZINC05309254