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PUBCHEM-ZINC05761114

 MMsINC code: MMs03374349
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-/m1/s1

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Potential Energy
Epot(MMFF94)=-25.4295 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: 0.15666  Sterimol/B1: 2.45895  Sterimol/B2: 3.74153  Sterimol/B3: 3.98542
  Sterimol/B4: 6.77996  Sterimol/L: 13.7363 
 
 Surface and Volume Properties
  Accessible surface: 463.246  Positive charged surface: 387.792  Negative charged surface: 75.4541  Volume: 233.875
  Hydrophobic surface: 243.585  Hydrophilic surface: 219.661
 
 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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MMs03374348
PUBCHEM-ZINC05761114