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NCID-ZINC05104891

 MMsINC code: MMs02441174
Type: Neutral
Formula: C10H23N2+
SMILES:   [N+](C)(C)(C)C1CCCCC1NC
InChI:   InChI=1/C10H23N2/c1-11-9-7-5-6-8-10(9)12(2,3)4/h9-11H,5-8H2,1-4H3/q+1/t9-,10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.308 g/mol  logS: -0.08091  SlogP: 1.2232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.276745  Sterimol/B1: 2.41039  Sterimol/B2: 3.17416  Sterimol/B3: 3.56548
  Sterimol/B4: 7.58998  Sterimol/L: 10.0636 
 
 Surface and Volume Properties
  Accessible surface: 374.64  Positive charged surface: 347.649  Negative charged surface: 26.9911  Volume: 199.125
  Hydrophobic surface: 314.873  Hydrophilic surface: 59.767
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  Chiral centers: 2
 
 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


MMs02441175
NCID-ZINC05104891