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PUBCHEM-ZINC05957542

 MMsINC code: MMs03460364
Type: Neutral
Formula: C16H36N2
SMILES:   N(CCCCCCCCCCCCN(C)C)(C)C
InChI:   InChI=1/C16H36N2/c1-17(2)15-13-11-9-7-5-6-8-10-12-14-16-18(3)4/h5-16H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.8644 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.478 g/mol  logS: -3.28472  SlogP: 4.0106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0192196  Sterimol/B1: 2.14217  Sterimol/B2: 2.32455  Sterimol/B3: 3.94396
  Sterimol/B4: 4.19677  Sterimol/L: 23.2815 
 
 Surface and Volume Properties
  Accessible surface: 633.306  Positive charged surface: 597.45  Negative charged surface: 35.8564  Volume: 322.25
  Hydrophobic surface: 627.774  Hydrophilic surface: 5.532
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03460365
PUBCHEM-ZINC05957542