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NCID-ZINC04748465

 MMsINC code: MMs02400382
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-/m1/s1

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Potential Energy
Epot(MMFF94)=22.2403 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: 0.0408725  Sterimol/B1: 2.17898  Sterimol/B2: 2.91187  Sterimol/B3: 3.00295
  Sterimol/B4: 6.58524  Sterimol/L: 14.8082 
 
 Surface and Volume Properties
  Accessible surface: 476.594  Positive charged surface: 447.733  Negative charged surface: 28.8614  Volume: 236.75
  Hydrophobic surface: 471.242  Hydrophilic surface: 5.352
 
 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


MMs02400383
NCID-ZINC04748465