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NCID-ZINC05104890

 MMsINC code: MMs02441172
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+/m1/s1

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Potential Energy
Epot(MMFF94)=87.108 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: 0.307034  Sterimol/B1: 2.01533  Sterimol/B2: 2.96505  Sterimol/B3: 3.96286
  Sterimol/B4: 6.9589  Sterimol/L: 10.0706 
 
 Surface and Volume Properties
  Accessible surface: 373.317  Positive charged surface: 345.283  Negative charged surface: 28.034  Volume: 199.625
  Hydrophobic surface: 320.082  Hydrophilic surface: 53.235
 
 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


MMs02441173
NCID-ZINC05104890