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NCID-ZINC01744477

 MMsINC code: MMs02360290
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-/m1/s1

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Potential Energy
Epot(MMFF94)=81.4401 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: 0.305917  Sterimol/B1: 2.56191  Sterimol/B2: 2.65353  Sterimol/B3: 4.4854
  Sterimol/B4: 7.11744  Sterimol/L: 10.3301 
 
 Surface and Volume Properties
  Accessible surface: 405.865  Positive charged surface: 385.046  Negative charged surface: 20.8181  Volume: 229.75
  Hydrophobic surface: 322.056  Hydrophilic surface: 83.809
 
 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:


MMs02360289
NCID-ZINC01744477