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BACHEM-ZINC01572038

 MMsINC code: MMs00482211
Type: Ionized
Formula: C11H24N3O3+
SMILES:   O=C(NC(C(C)C)C(=O)[O-])C([NH3+])CCCC[NH3+]
InChI:   InChI=1/C11H23N3O3/c1-7(2)9(11(16)17)14-10(15)8(13)5-3-4-6-12/h7-9H,3-6,12-13H2,1-2H3,(H,14,15)(H,16,17)/p+1/t8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=39.506 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.331 g/mol  logS: -0.6894  SlogP: -3.1002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0501354  Sterimol/B1: 3.02699  Sterimol/B2: 3.10609  Sterimol/B3: 3.71182
  Sterimol/B4: 6.0709  Sterimol/L: 15.5599 
 
 Surface and Volume Properties
  Accessible surface: 509.476  Positive charged surface: 388.911  Negative charged surface: 120.565  Volume: 253.375
  Hydrophobic surface: 236.21  Hydrophilic surface: 273.266
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 2
  Chiral centers: 2
 
 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:


MMs00482210
BACHEM-ZINC01572038