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NCID-ZINC01744475

 MMsINC code: MMs02360288
Type: Ionized
Formula: C11H26N2+2
SMILES:   [N+](C)(C)(C)C1CCCCC1[NH+](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/p+1/t10-,11+/m0/s1

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Potential Energy
Epot(MMFF94)=90.9844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.343 g/mol  logS: -0.18747  SlogP: 0.1483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.272569  Sterimol/B1: 3.22904  Sterimol/B2: 3.33613  Sterimol/B3: 3.90489
  Sterimol/B4: 6.08355  Sterimol/L: 10.3484 
 
 Surface and Volume Properties
  Accessible surface: 400.767  Positive charged surface: 379.686  Negative charged surface: 21.0804  Volume: 230.625
  Hydrophobic surface: 312.808  Hydrophilic surface: 87.959
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  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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Parent related molecule:


MMs02360287
NCID-ZINC01744475