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NCID-ZINC01626870

 MMsINC code: MMs02273203
Type: Neutral
Formula: C8H20N+
SMILES:   [N+](CC(C)(C)C)(C)(C)C
InChI:   InChI=1/C8H20N/c1-8(2,3)7-9(4,5)6/h7H2,1-6H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=160.06 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.255 g/mol  logS: -0.29057  SlogP: 1.7387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.395659  Sterimol/B1: 2.28012  Sterimol/B2: 2.5757  Sterimol/B3: 3.91297
  Sterimol/B4: 4.79835  Sterimol/L: 9.554 
 
 Surface and Volume Properties
  Accessible surface: 324.509  Positive charged surface: 277.999  Negative charged surface: 46.5096  Volume: 160.5
  Hydrophobic surface: 230.703  Hydrophilic surface: 93.806
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.