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IBS-ZINC02160984

 MMsINC code: MMs01797651
Type: Tautomer
Formula: C15H26N2
SMILES:   N12C3C(CCCC3CN3C1CCCC3)CCC2
InChI:   InChI=1/C15H26N2/c1-2-9-16-11-13-6-3-5-12-7-4-10-17(15(12)13)14(16)8-1/h12-15H,1-11H2/t12-,13+,14-,15-/m1/s1

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Potential Energy
Epot(MMFF94)=29.4216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.387 g/mol  logS: -1.94268  SlogP: 2.6927  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114797  Sterimol/B1: 2.66026  Sterimol/B2: 3.92112  Sterimol/B3: 4.37353
  Sterimol/B4: 5.62302  Sterimol/L: 12.1668 
 
 Surface and Volume Properties
  Accessible surface: 443.668  Positive charged surface: 382.428  Negative charged surface: 61.2396  Volume: 250.875
  Hydrophobic surface: 438.863  Hydrophilic surface: 4.805
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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:


MMs01797650
IBS-ZINC02160984