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PUBCHEM-ZINC05973288

 MMsINC code: MMs03468801
Type: Neutral
Formula: C16H36N2
SMILES:   N(C(CCCCC)C)CCNC(CCCCC)C
InChI:   InChI=1/C16H36N2/c1-5-7-9-11-15(3)17-13-14-18-16(4)12-10-8-6-2/h15-18H,5-14H2,1-4H3/t15-,16+

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Potential Energy
Epot(MMFF94)=5.76492 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.478 g/mol  logS: -3.92812  SlogP: 4.1032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0263324  Sterimol/B1: 2.69819  Sterimol/B2: 3.05219  Sterimol/B3: 4.10718
  Sterimol/B4: 6.78297  Sterimol/L: 19.9642 
 
 Surface and Volume Properties
  Accessible surface: 635.226  Positive charged surface: 513.759  Negative charged surface: 121.468  Volume: 325.75
  Hydrophobic surface: 520.279  Hydrophilic surface: 114.947
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03468802
PUBCHEM-ZINC05973288