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PUBCHEM-ZINC05758326

 MMsINC code: MMs03372898
Type: Neutral
Formula: C11H25N
SMILES:   N(CCCCCCC(C)C)(C)C
InChI:   InChI=1/C11H25N/c1-11(2)9-7-5-6-8-10-12(3)4/h11H,5-10H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.9292 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.328 g/mol  logS: -3.10873  SlogP: 3.1545  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0349477  Sterimol/B1: 2.10587  Sterimol/B2: 2.77133  Sterimol/B3: 3.12614
  Sterimol/B4: 4.87575  Sterimol/L: 15.8274 
 
 Surface and Volume Properties
  Accessible surface: 465.753  Positive charged surface: 404.668  Negative charged surface: 61.0844  Volume: 220.375
  Hydrophobic surface: 420.926  Hydrophilic surface: 44.827
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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


MMs03372899
PUBCHEM-ZINC05758326