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NCID-ZINC01744477

 MMsINC code: MMs02360289
Type: Neutral
Formula: C11H25N2+
SMILES:   [N+](C)(C)(C)C1CCCCC1N(C)C
InChI:   InChI=1/C11H25N2/c1-12(2)10-8-6-7-9-11(10)13(3,4)5/h10-11H,6-9H2,1-5H3/q+1/t10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=104.469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.335 g/mol  logS: -0.21186  SlogP: 1.5654  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.351219  Sterimol/B1: 2.51263  Sterimol/B2: 2.64004  Sterimol/B3: 4.26921
  Sterimol/B4: 7.04159  Sterimol/L: 9.79696 
 
 Surface and Volume Properties
  Accessible surface: 384.618  Positive charged surface: 359.77  Negative charged surface: 24.8484  Volume: 215.5
  Hydrophobic surface: 338.981  Hydrophilic surface: 45.637
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02360290
NCID-ZINC01744477