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NCID-ZINC04683522

 MMsINC code: MMs02393099
Type: Tautomer
Formula: C24H48N2
SMILES:   N(CCCC(N(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/t20-,22+/m0/s1

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Potential Energy
Epot(MMFF94)=86.8342 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.662 g/mol  logS: -5.01844  SlogP: 6.3716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.213485  Sterimol/B1: 2.39537  Sterimol/B2: 4.16084  Sterimol/B3: 5.18476
  Sterimol/B4: 9.9049  Sterimol/L: 13.8945 
 
 Surface and Volume Properties
  Accessible surface: 659.131  Positive charged surface: 504.734  Negative charged surface: 154.397  Volume: 435.625
  Hydrophobic surface: 548.365  Hydrophilic surface: 110.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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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MMs02393098
NCID-ZINC04683522