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NCID-ZINC01744480

 MMsINC code: MMs02360293
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)=309.51 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: 0.354893  Sterimol/B1: 2.1296  Sterimol/B2: 3.74056  Sterimol/B3: 3.87294
  Sterimol/B4: 6.85903  Sterimol/L: 9.92215 
 
 Surface and Volume Properties
  Accessible surface: 377.85  Positive charged surface: 350.531  Negative charged surface: 27.3196  Volume: 210.25
  Hydrophobic surface: 332.198  Hydrophilic surface: 45.652
 
 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


MMs02360294
NCID-ZINC01744480