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PUBCHEM-ZINC06157424

 MMsINC code: MMs03568434
Type: Ionized
Formula: C6H16N4O2+2
SMILES:   O=C(NCCNC(=O)C[NH3+])C[NH3+]
InChI:   InChI=1/C6H14N4O2/c7-3-5(11)9-1-2-10-6(12)4-8/h1-4,7-8H2,(H,9,11)(H,10,12)/p+2

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Potential Energy
Epot(MMFF94)=29.7936 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.22 g/mol  logS: 0.73038  SlogP: -4.2974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0207251  Sterimol/B1: 2.38214  Sterimol/B2: 2.38908  Sterimol/B3: 2.85485
  Sterimol/B4: 3.74007  Sterimol/L: 15.4347 
 
 Surface and Volume Properties
  Accessible surface: 421.295  Positive charged surface: 365.435  Negative charged surface: 55.8592  Volume: 174.375
  Hydrophobic surface: 151.01  Hydrophilic surface: 270.285
 
 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:


MMs03568433
PUBCHEM-ZINC06157424