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NCID-ZINC01765116

 MMsINC code: MMs02369345
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-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.2339 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: 0.0779399  Sterimol/B1: 3.12171  Sterimol/B2: 3.49946  Sterimol/B3: 3.7246
  Sterimol/B4: 3.84653  Sterimol/L: 14.6235 
 
 Surface and Volume Properties
  Accessible surface: 442.209  Positive charged surface: 384.866  Negative charged surface: 57.3431  Volume: 219.25
  Hydrophobic surface: 351.444  Hydrophilic surface: 90.765
 
 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.