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PUBCHEM-ZINC03199939

 MMsINC code: MMs03007375
Type: Neutral
Formula: C11H26N+
SMILES:   [N+](C(CCCCCC)C)(C)(C)C
InChI:   InChI=1/C11H26N/c1-6-7-8-9-10-11(2)12(3,4)5/h11H,6-10H2,1-5H3/q+1/t11-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.6704 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.336 g/mol  logS: -2.27512  SlogP: 3.0515  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0773596  Sterimol/B1: 3.0681  Sterimol/B2: 3.51297  Sterimol/B3: 3.74738
  Sterimol/B4: 3.83326  Sterimol/L: 14.6121 
 
 Surface and Volume Properties
  Accessible surface: 437.95  Positive charged surface: 381.634  Negative charged surface: 56.3154  Volume: 219
  Hydrophobic surface: 349.663  Hydrophilic surface: 88.287
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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: no related molecules available.