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PUBCHEM-ZINC05649303

 MMsINC code: MMs03335390
Type: Ionized
Formula: C14H26N+
SMILES:   [NH3+]C(CCC)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C14H25N/c1-2-3-13(15)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-13H,2-9,15H2,1H3/p+1/t10-,11+,12-,13-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=34.4756 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.369 g/mol  logS: -4.01943  SlogP: 2.6134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183305  Sterimol/B1: 2.91061  Sterimol/B2: 3.93378  Sterimol/B3: 3.99667
  Sterimol/B4: 5.09319  Sterimol/L: 12.7496 
 
 Surface and Volume Properties
  Accessible surface: 431.833  Positive charged surface: 369.456  Negative charged surface: 62.3762  Volume: 237.375
  Hydrophobic surface: 363.112  Hydrophilic surface: 68.721
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  Chiral centers: 1
 
 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:


MMs03335389
PUBCHEM-ZINC05649303