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NCID-ZINC05029977

 MMsINC code: MMs02430395
Type: Neutral
Formula: C11H24N+
SMILES:   [N+](C)(C)(C)C1CCCCCCC1
InChI:   InChI=1/C11H24N/c1-12(2,3)11-9-7-5-4-6-8-10-11/h11H,4-10H2,1-3H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.763 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.32 g/mol  logS: -1.85963  SlogP: 2.8055  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.305145  Sterimol/B1: 2.36531  Sterimol/B2: 2.77485  Sterimol/B3: 4.38309
  Sterimol/B4: 5.15369  Sterimol/L: 10.1628 
 
 Surface and Volume Properties
  Accessible surface: 369.606  Positive charged surface: 320.393  Negative charged surface: 49.2122  Volume: 203.375
  Hydrophobic surface: 321.447  Hydrophilic surface: 48.159
 
 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.