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ASINEX-ZINC05022249

 MMsINC code: MMs00438092
Type: Neutral
Formula: C24H48N4O2+2
SMILES:   O=C(NCC[N+]1(CCCCCC1)C)CCCCC(=O)NCC[N+]1(CCCCCC1)C
InChI:   InChI=1/C24H46N4O2/c1-27(17-9-3-4-10-18-27)21-15-25-23(29)13-7-8-14-24(30)26-16-22-28(2)19-11-5-6-12-20-28/h3-22H2,1-2H3/p+2

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Potential Energy
Epot(MMFF94)=215.419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.674 g/mol  logS: -1.54992  SlogP: 2.8204  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.017404  Sterimol/B1: 2.37091  Sterimol/B2: 3.44969  Sterimol/B3: 4.15763
  Sterimol/B4: 4.96437  Sterimol/L: 26.8797 
 
 Surface and Volume Properties
  Accessible surface: 793.188  Positive charged surface: 668.395  Negative charged surface: 124.792  Volume: 455.625
  Hydrophobic surface: 648.465  Hydrophilic surface: 144.723
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 2
  Chiral centers: 0
 
 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: no related molecules available.