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ACROSORGANICS-ZINC01706222

 MMsINC code: MMs00011477
Type: Neutral
Formula: C16H36N+
SMILES:   [N+](CCCC)(CCCC)(CCCC)CCCC
InChI:   InChI=1/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.2151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.471 g/mol  logS: -3.53485  SlogP: 5.0036  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138758  Sterimol/B1: 2.35481  Sterimol/B2: 2.92737  Sterimol/B3: 2.99813
  Sterimol/B4: 12.0296  Sterimol/L: 14.3856 
 
 Surface and Volume Properties
  Accessible surface: 565.348  Positive charged surface: 441.022  Negative charged surface: 124.326  Volume: 306.625
  Hydrophobic surface: 457.006  Hydrophilic surface: 108.342
 
 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.