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PUBCHEM-ZINC05978229

 MMsINC code: MMs03473577
Type: Ionized
Formula: C14H30N+
SMILES:   [NH2+]1C(CCC1CCCCC)CCCCC
InChI:   InChI=1/C14H29N/c1-3-5-7-9-13-11-12-14(15-13)10-8-6-4-2/h13-15H,3-12H2,1-2H3/p+1/t13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=7.34263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.401 g/mol  logS: -4.03475  SlogP: 3.2414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0441732  Sterimol/B1: 2.46143  Sterimol/B2: 2.79647  Sterimol/B3: 3.18171
  Sterimol/B4: 7.81511  Sterimol/L: 16.4961 
 
 Surface and Volume Properties
  Accessible surface: 540.832  Positive charged surface: 454.215  Negative charged surface: 86.6179  Volume: 266.25
  Hydrophobic surface: 479.952  Hydrophilic surface: 60.88
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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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Parent related molecule:


MMs03473576
PUBCHEM-ZINC05978229