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PUBCHEM-ZINC05439959

 MMsINC code: MMs03269664
Type: Neutral
Formula: C14H32N2
SMILES:   N(C(CCCCC(N(C)C)(C)C)(C)C)(C)C
InChI:   InChI=1/C14H32N2/c1-13(2,15(5)6)11-9-10-12-14(3,4)16(7)8/h9-12H2,1-8H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.424 g/mol  logS: -1.50224  SlogP: 3.2272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0903826  Sterimol/B1: 2.37478  Sterimol/B2: 2.66658  Sterimol/B3: 4.87447
  Sterimol/B4: 4.89278  Sterimol/L: 15.7435 
 
 Surface and Volume Properties
  Accessible surface: 501.692  Positive charged surface: 426.122  Negative charged surface: 75.5699  Volume: 276.75
  Hydrophobic surface: 433.714  Hydrophilic surface: 67.978
 
 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


MMs03269665
PUBCHEM-ZINC05439959