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PUBCHEM-ZINC05761348

 MMsINC code: MMs03374614
Type: Ionized
Formula: C10H25N4+
SMILES:   [NH3+]CCCCN(C(C(C)C)C)C(N)=N
InChI:   InChI=1/C10H24N4/c1-8(2)9(3)14(10(12)13)7-5-4-6-11/h8-9H,4-7,11H2,1-3H3,(H3,12,13)/p+1/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=-24.5416 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.338 g/mol  logS: -0.93356  SlogP: 0.24847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167997  Sterimol/B1: 2.32416  Sterimol/B2: 2.88291  Sterimol/B3: 5.56217
  Sterimol/B4: 6.31717  Sterimol/L: 12.7902 
 
 Surface and Volume Properties
  Accessible surface: 458.023  Positive charged surface: 384.157  Negative charged surface: 73.866  Volume: 235.75
  Hydrophobic surface: 235.351  Hydrophilic surface: 222.672
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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:


MMs03374613
PUBCHEM-ZINC05761348