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PUBCHEM-ZINC00213889

 MMsINC code: MMs02640397
Type: Neutral
Formula: C14H26N2
SMILES:   N(CC1CCC=CC1)(C)C1CCN(CC1)C
InChI:   InChI=1/C14H26N2/c1-15-10-8-14(9-11-15)16(2)12-13-6-4-3-5-7-13/h3-4,13-14H,5-12H2,1-2H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=30.7669 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.376 g/mol  logS: -0.94875  SlogP: 2.3687  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108585  Sterimol/B1: 2.92375  Sterimol/B2: 3.60675  Sterimol/B3: 4.09553
  Sterimol/B4: 5.31212  Sterimol/L: 14.7423 
 
 Surface and Volume Properties
  Accessible surface: 474.561  Positive charged surface: 412.196  Negative charged surface: 62.3643  Volume: 255.125
  Hydrophobic surface: 439.211  Hydrophilic surface: 35.35
 
 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


MMs02640398
PUBCHEM-ZINC00213889