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ASINEX-ZINC04129576

 MMsINC code: MMs00306784
Type: Neutral
Formula: C14H28N2
SMILES:   N1(CCCCC1)C1CCN(CC1)C(CC)C
InChI:   InChI=1/C14H28N2/c1-3-13(2)15-11-7-14(8-12-15)16-9-5-4-6-10-16/h13-14H,3-12H2,1-2H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=26.1268 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.392 g/mol  logS: -1.54904  SlogP: 2.7352  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120203  Sterimol/B1: 2.19274  Sterimol/B2: 3.07703  Sterimol/B3: 4.11382
  Sterimol/B4: 6.04108  Sterimol/L: 13.8148 
 
 Surface and Volume Properties
  Accessible surface: 472.394  Positive charged surface: 388.775  Negative charged surface: 83.6186  Volume: 258.5
  Hydrophobic surface: 430.074  Hydrophilic surface: 42.32
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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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Ions/Tautomers related molecules


MMs00306785
ASINEX-ZINC04129576