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ASINEX-ZINC02565648

 MMsINC code: MMs00274923
Type: Ionized
Formula: C8H21N3O+2
SMILES:   O=C(N)CC[NH2+]CCC[NH+](C)C
InChI:   InChI=1/C8H19N3O/c1-11(2)7-3-5-10-6-4-8(9)12/h10H,3-7H2,1-2H3,(H2,9,12)/p+2

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Potential Energy
Epot(MMFF94)=11.9961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 175.276 g/mol  logS: 0.43116  SlogP: -3.0402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0378422  Sterimol/B1: 2.19875  Sterimol/B2: 2.53041  Sterimol/B3: 3.1977
  Sterimol/B4: 4.59028  Sterimol/L: 15.5903 
 
 Surface and Volume Properties
  Accessible surface: 434.962  Positive charged surface: 388.753  Negative charged surface: 46.2087  Volume: 198.25
  Hydrophobic surface: 235.977  Hydrophilic surface: 198.985
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 2
  Chiral centers: 0
 
 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:


MMs00274922
ASINEX-ZINC02565648