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OAKWOOD-ZINC04290713

 MMsINC code: MMs02551338
Type: Tautomer
Formula: C12H28N2+2
SMILES:   [NH2+](CC[NH2+]C(C)(C)C)C1CCCCC1
InChI:   InChI=1/C12H26N2/c1-12(2,3)14-10-9-13-11-7-5-4-6-8-11/h11,13-14H,4-10H2,1-3H3/p+2

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Potential Energy
Epot(MMFF94)=55.7007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.37 g/mol  logS: -1.52841  SlogP: 0.2444  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0650189  Sterimol/B1: 2.39567  Sterimol/B2: 2.84401  Sterimol/B3: 4.00721
  Sterimol/B4: 5.27912  Sterimol/L: 15.2341 
 
 Surface and Volume Properties
  Accessible surface: 477.704  Positive charged surface: 405.076  Negative charged surface: 72.6283  Volume: 244.5
  Hydrophobic surface: 385.74  Hydrophilic surface: 91.964
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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:


MMs02551337
OAKWOOD-ZINC04290713