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BACHEM-ZINC02526306

 MMsINC code: MMs00483471
Type: Ionized
Formula: C11H24N3O3+
SMILES:   O(C(C)(C)C)C(=O)NCCCCC([NH3+])C(=O)N
InChI:   InChI=1/C11H23N3O3/c1-11(2,3)17-10(16)14-7-5-4-6-8(12)9(13)15/h8H,4-7,12H2,1-3H3,(H2,13,15)(H,14,16)/p+1/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=1.68501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.331 g/mol  logS: -1.3724  SlogP: -0.2228  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0479689  Sterimol/B1: 2.28957  Sterimol/B2: 3.97391  Sterimol/B3: 4.66467
  Sterimol/B4: 4.92414  Sterimol/L: 16.4771 
 
 Surface and Volume Properties
  Accessible surface: 533.487  Positive charged surface: 418.444  Negative charged surface: 115.043  Volume: 257.125
  Hydrophobic surface: 274.819  Hydrophilic surface: 258.668
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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:


MMs00483470
BACHEM-ZINC02526306