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NCID-ZINC04683523

 MMsINC code: MMs02393101
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)=87.567 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: 0.194319  Sterimol/B1: 2.2967  Sterimol/B2: 2.53995  Sterimol/B3: 6.68858
  Sterimol/B4: 10.0327  Sterimol/L: 14.3672 
 
 Surface and Volume Properties
  Accessible surface: 685.088  Positive charged surface: 526.352  Negative charged surface: 158.736  Volume: 437.5
  Hydrophobic surface: 568.064  Hydrophilic surface: 117.024
 
 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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Parent related molecule:


MMs02393100
NCID-ZINC04683523