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NCID-ZINC04539025

 MMsINC code: MMs02390930
Type: Neutral
Formula: C13H26N2
SMILES:   N1(CCCCC1CCN1CCCCC1)C
InChI:   InChI=1/C13H26N2/c1-14-9-6-3-7-13(14)8-12-15-10-4-2-5-11-15/h13H,2-12H2,1H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=18.8996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.365 g/mol  logS: -1.09639  SlogP: 2.3467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0565317  Sterimol/B1: 2.19333  Sterimol/B2: 2.95149  Sterimol/B3: 3.01044
  Sterimol/B4: 6.54456  Sterimol/L: 14.2688 
 
 Surface and Volume Properties
  Accessible surface: 465.023  Positive charged surface: 415.014  Negative charged surface: 50.0094  Volume: 241.75
  Hydrophobic surface: 461.385  Hydrophilic surface: 3.638
 
 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


MMs02390931
NCID-ZINC04539025