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NCID-ZINC04683523

 MMsINC code: MMs02393100
Type: Neutral
Formula: C24H50N2+2
SMILES:   [NH+](CCCC([NH+](CC(CCC=1C(CCCC=1C)(C)C)C)C)C)(CC)CC
InChI:   InChI=1/C24H48N2/c1-9-26(10-2)18-12-14-22(5)25(8)19-20(3)15-16-23-21(4)13-11-17-24(23,6)7/h20,22H,9-19H2,1-8H3/p+2/t20-,22-/m0/s1

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Potential Energy
Epot(MMFF94)=62.64 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.678 g/mol  logS: -4.96966  SlogP: 3.5374  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.212066  Sterimol/B1: 2.0977  Sterimol/B2: 3.67546  Sterimol/B3: 6.86155
  Sterimol/B4: 9.2167  Sterimol/L: 13.6312 
 
 Surface and Volume Properties
  Accessible surface: 669.636  Positive charged surface: 532.331  Negative charged surface: 137.305  Volume: 452.625
  Hydrophobic surface: 535.37  Hydrophilic surface: 134.266
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  Chiral centers: 2
 
 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


MMs02393101
NCID-ZINC04683523