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ASINEX-ZINC04384298

 MMsINC code: MMs00328933
Type: Tautomer
Formula: C10H24N2+2
SMILES:   [NH2+](CC1CCC[NH+](C1)C(C)C)C
InChI:   InChI=1/C10H22N2/c1-9(2)12-6-4-5-10(8-12)7-11-3/h9-11H,4-8H2,1-3H3/p+2/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=29.4123 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.316 g/mol  logS: -0.48972  SlogP: -1.1171  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126809  Sterimol/B1: 2.1532  Sterimol/B2: 3.14375  Sterimol/B3: 4.90846
  Sterimol/B4: 5.60461  Sterimol/L: 12.6734 
 
 Surface and Volume Properties
  Accessible surface: 418.736  Positive charged surface: 373.383  Negative charged surface: 45.3532  Volume: 209.75
  Hydrophobic surface: 315.834  Hydrophilic surface: 102.902
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  Chiral centers: 1
 
 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:


MMs00328932
ASINEX-ZINC04384298