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PUBCHEM-ZINC05133608

 MMsINC code: MMs03208526
Type: Neutral
Formula: C24H44N2
SMILES:   N(CC1CCC(=CC1)CNCCC1CCCCC1)CCC1CCCCC1
InChI:   InChI=1/C24H44N2/c1-3-7-21(8-4-1)15-17-25-19-23-11-13-24(14-12-23)20-26-18-16-22-9-5-2-6-10-22/h11,21-22,24-26H,1-10,12-20H2/t24-/m0/s1

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Potential Energy
Epot(MMFF94)=21.2601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.63 g/mol  logS: -5.83669  SlogP: 5.8329  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0221636  Sterimol/B1: 3.48974  Sterimol/B2: 3.81918  Sterimol/B3: 3.94226
  Sterimol/B4: 4.78583  Sterimol/L: 25.1994 
 
 Surface and Volume Properties
  Accessible surface: 757.19  Positive charged surface: 644.721  Negative charged surface: 112.469  Volume: 416.875
  Hydrophobic surface: 712.189  Hydrophilic surface: 45.001
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03208527
PUBCHEM-ZINC05133608