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PUBCHEM-ZINC05758490

 MMsINC code: MMs03372950
Type: Ionized
Formula: C10H25N2+
SMILES:   [NH3+]CC(N)CCCCCC(C)C
InChI:   InChI=1/C10H24N2/c1-9(2)6-4-3-5-7-10(12)8-11/h9-10H,3-8,11-12H2,1-2H3/p+1/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=5.85075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.324 g/mol  logS: -2.56917  SlogP: 1.1621  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.047478  Sterimol/B1: 2.27684  Sterimol/B2: 2.74691  Sterimol/B3: 3.5402
  Sterimol/B4: 4.35097  Sterimol/L: 15.6555 
 
 Surface and Volume Properties
  Accessible surface: 454.511  Positive charged surface: 399.049  Negative charged surface: 55.4623  Volume: 215.75
  Hydrophobic surface: 301.53  Hydrophilic surface: 152.981
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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:


MMs03372949
PUBCHEM-ZINC05758490