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NCID-ZINC01744478

 MMsINC code: MMs02360291
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-/m0/s1

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Potential Energy
Epot(MMFF94)=94.7878 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: 0.356563  Sterimol/B1: 2.15066  Sterimol/B2: 2.95352  Sterimol/B3: 4.84094
  Sterimol/B4: 6.62789  Sterimol/L: 9.76249 
 
 Surface and Volume Properties
  Accessible surface: 390.367  Positive charged surface: 365.45  Negative charged surface: 24.9169  Volume: 215.875
  Hydrophobic surface: 344.156  Hydrophilic surface: 46.211
 
 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


MMs02360292
NCID-ZINC01744478