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PUBCHEM-ZINC05113209

 MMsINC code: MMs03201563
Type: Ionized
Formula: C12H26N3O4+
SMILES:   O=C([O-])C([NH3+])CCCC[NH2+]CCCCC([NH3+])C(=O)[O-]
InChI:   InChI=1/C12H25N3O4/c13-9(11(16)17)5-1-3-7-15-8-4-2-6-10(14)12(18)19/h9-10,15H,1-8,13-14H2,(H,16,17)(H,18,19)/p+1/t9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=24.4019 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.357 g/mol  logS: -0.39023  SlogP: -5.3888  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0289675  Sterimol/B1: 2.72429  Sterimol/B2: 3.36508  Sterimol/B3: 3.51954
  Sterimol/B4: 3.95811  Sterimol/L: 20.369 
 
 Surface and Volume Properties
  Accessible surface: 573.082  Positive charged surface: 427.626  Negative charged surface: 145.456  Volume: 274
  Hydrophobic surface: 256.823  Hydrophilic surface: 316.259
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  Basic groups: 3
  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: 0
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MMs03201562
PUBCHEM-ZINC05113209