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NCID-ZINC04691834

 MMsINC code: MMs02393466
Type: Neutral
Formula: C19H42N2
SMILES:   N(CCCC)(CCCC)CCCN(CCCC)CCCC
InChI:   InChI=1/C19H42N2/c1-5-9-14-20(15-10-6-2)18-13-19-21(16-11-7-3)17-12-8-4/h5-19H2,1-4H3

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Potential Energy
Epot(MMFF94)=19.2664 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.559 g/mol  logS: -3.76489  SlogP: 5.1809  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.280743  Sterimol/B1: 2.15489  Sterimol/B2: 2.3947  Sterimol/B3: 8.14565
  Sterimol/B4: 8.53936  Sterimol/L: 15.4149 
 
 Surface and Volume Properties
  Accessible surface: 717.968  Positive charged surface: 585.657  Negative charged surface: 132.31  Volume: 372
  Hydrophobic surface: 622.264  Hydrophilic surface: 95.704
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs02393467
NCID-ZINC04691834