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PUBCHEM-ZINC00213883

 MMsINC code: MMs02640395
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-/m1/s1

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Potential Energy
Epot(MMFF94)=31.3868 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: 0.0796608  Sterimol/B1: 2.99524  Sterimol/B2: 3.53455  Sterimol/B3: 3.99377
  Sterimol/B4: 4.00761  Sterimol/L: 15.2733 
 
 Surface and Volume Properties
  Accessible surface: 474.754  Positive charged surface: 410.626  Negative charged surface: 64.128  Volume: 254.5
  Hydrophobic surface: 440.677  Hydrophilic surface: 34.077
 
 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


MMs02640396
PUBCHEM-ZINC00213883