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NCID-ZINC01656346

 MMsINC code: MMs02294852
Type: Neutral
Formula: C12H26N2
SMILES:   N(CCCCC1CCCN(C1)C)(C)C
InChI:   InChI=1/C12H26N2/c1-13(2)9-5-4-7-12-8-6-10-14(3)11-12/h12H,4-11H2,1-3H3/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=22.3008 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.354 g/mol  logS: -0.62034  SlogP: 2.0601  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0677968  Sterimol/B1: 2.14163  Sterimol/B2: 3.32722  Sterimol/B3: 3.40118
  Sterimol/B4: 6.65843  Sterimol/L: 14.9036 
 
 Surface and Volume Properties
  Accessible surface: 472.586  Positive charged surface: 443.511  Negative charged surface: 29.0753  Volume: 238.25
  Hydrophobic surface: 466.245  Hydrophilic surface: 6.341
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02294853
NCID-ZINC01656346