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PUBCHEM-ZINC06519540

 MMsINC code: MMs03778240
Type: Neutral
Formula: C9H18N+
SMILES:   [N+](C)(C)(C)C=1CCCCC=1
InChI:   InChI=1/C9H18N/c1-10(2,3)9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.613 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.25 g/mol  logS: -0.55909  SlogP: 2.1505  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.228094  Sterimol/B1: 2.27178  Sterimol/B2: 3.53375  Sterimol/B3: 3.61363
  Sterimol/B4: 4.91025  Sterimol/L: 9.80393 
 
 Surface and Volume Properties
  Accessible surface: 345.104  Positive charged surface: 306.396  Negative charged surface: 38.7077  Volume: 166.625
  Hydrophobic surface: 286.118  Hydrophilic surface: 58.986
 
 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.