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NCID-ZINC01606232

 MMsINC code: MMs02258245
Type: Neutral
Formula: C11H26N2
SMILES:   N(C(NCC(C)C)CC)CC(C)C
InChI:   InChI=1/C11H26N2/c1-6-11(12-7-9(2)3)13-8-10(4)5/h9-13H,6-8H2,1-5H3

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Potential Energy
Epot(MMFF94)=-10.4385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.343 g/mol  logS: -0.99563  SlogP: 2.2137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126138  Sterimol/B1: 2.55391  Sterimol/B2: 2.79887  Sterimol/B3: 3.98907
  Sterimol/B4: 7.75503  Sterimol/L: 12.713 
 
 Surface and Volume Properties
  Accessible surface: 465.619  Positive charged surface: 354.766  Negative charged surface: 110.853  Volume: 231.125
  Hydrophobic surface: 350.293  Hydrophilic surface: 115.326
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02258246
NCID-ZINC01606232