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NCID-ZINC01627237

 MMsINC code: MMs02273487
Type: Neutral
Formula: C8H20N+
SMILES:   [N+](CCC(C)C)(C)(C)C
InChI:   InChI=1/C8H20N/c1-8(2)6-7-9(3,4)5/h8H,6-7H2,1-5H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.1484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.255 g/mol  logS: -0.91747  SlogP: 1.7387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183589  Sterimol/B1: 2.54931  Sterimol/B2: 3.21651  Sterimol/B3: 3.3647
  Sterimol/B4: 4.54341  Sterimol/L: 10.816 
 
 Surface and Volume Properties
  Accessible surface: 351.945  Positive charged surface: 310.182  Negative charged surface: 41.7625  Volume: 167.25
  Hydrophobic surface: 261.157  Hydrophilic surface: 90.788
 
 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.