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PUBCHEM-ZINC00278518

 MMsINC code: MMs02649430
Type: Neutral
Formula: C14H28N2
SMILES:   N(CCN(CC1CCC=CC1)C)(CC)CC
InChI:   InChI=1/C14H28N2/c1-4-16(5-2)12-11-15(3)13-14-9-7-6-8-10-14/h6-7,14H,4-5,8-13H2,1-3H3/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=36.6472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.392 g/mol  logS: -1.05079  SlogP: 2.6163  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106051  Sterimol/B1: 2.49883  Sterimol/B2: 3.06444  Sterimol/B3: 4.67564
  Sterimol/B4: 7.90322  Sterimol/L: 14.0239 
 
 Surface and Volume Properties
  Accessible surface: 508.573  Positive charged surface: 411.194  Negative charged surface: 97.3788  Volume: 270.125
  Hydrophobic surface: 431.393  Hydrophilic surface: 77.18
 
 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


MMs02649431
PUBCHEM-ZINC00278518