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PUBCHEM-ZINC06126155

 MMsINC code: MMs03550100
Type: Ionized
Formula: C14H30N4O4+2
SMILES:   O(C(=O)NCCC[NH+]1CC[NH+](CC1)CCCNC(OC)=O)C
InChI:   InChI=1/C14H28N4O4/c1-21-13(19)15-5-3-7-17-9-11-18(12-10-17)8-4-6-16-14(20)22-2/h3-12H2,1-2H3,(H,15,19)(H,16,20)/p+2

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Potential Energy
Epot(MMFF94)=30.4338 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.418 g/mol  logS: -0.3887  SlogP: -2.738  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0311424  Sterimol/B1: 1.969  Sterimol/B2: 2.70384  Sterimol/B3: 3.70649
  Sterimol/B4: 8.71117  Sterimol/L: 19.0869 
 
 Surface and Volume Properties
  Accessible surface: 645.639  Positive charged surface: 576.041  Negative charged surface: 69.5983  Volume: 322.75
  Hydrophobic surface: 463.41  Hydrophilic surface: 182.229
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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:


MMs03550099
PUBCHEM-ZINC06126155