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NCID-ZINC01707991

 MMsINC code: MMs02336005
Type: Neutral
Formula: C18H40N+
SMILES:   [N+](CCC(CCCC)(CCCC)CCCC)(C)(C)C
InChI:   InChI=1/C18H40N/c1-7-10-13-18(14-11-8-2,15-12-9-3)16-17-19(4,5)6/h7-17H2,1-6H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.5231 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.525 g/mol  logS: -6.06967  SlogP: 5.6397  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157764  Sterimol/B1: 2.37459  Sterimol/B2: 3.08442  Sterimol/B3: 3.49887
  Sterimol/B4: 12.3688  Sterimol/L: 14.5786 
 
 Surface and Volume Properties
  Accessible surface: 589.367  Positive charged surface: 485.018  Negative charged surface: 104.349  Volume: 336.125
  Hydrophobic surface: 468.861  Hydrophilic surface: 120.506
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.