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PUBCHEM-ZINC05762099

 MMsINC code: MMs03375425
Type: Neutral
Formula: C15H30N2
SMILES:   N(CCCC=1CC(N(C)C(C=1)(C)C)(C)C)(C)C
InChI:   InChI=1/C15H30N2/c1-14(2)11-13(9-8-10-16(5)6)12-15(3,4)17(14)7/h11H,8-10,12H2,1-7H3

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Potential Energy
Epot(MMFF94)=73.7792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.419 g/mol  logS: -1.32502  SlogP: 3.1473  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139964  Sterimol/B1: 2.52279  Sterimol/B2: 2.58802  Sterimol/B3: 4.9716
  Sterimol/B4: 6.76657  Sterimol/L: 13.8202 
 
 Surface and Volume Properties
  Accessible surface: 507.777  Positive charged surface: 432.633  Negative charged surface: 75.1449  Volume: 284.25
  Hydrophobic surface: 441.561  Hydrophilic surface: 66.216
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03375426
PUBCHEM-ZINC05762099