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ASINEX-ZINC04774880

 MMsINC code: MMs00370312
Type: Neutral
Formula: C20H38N4O2
SMILES:   O=C(NC1CCCCC1)NCCCCCCNC(=O)NC1CCCCC1
InChI:   InChI=1/C20H38N4O2/c25-19(23-17-11-5-3-6-12-17)21-15-9-1-2-10-16-22-20(26)24-18-13-7-4-8-14-18/h17-18H,1-16H2,(H2,21,23,25)(H2,22,24,26)

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Potential Energy
Epot(MMFF94)=-39.9114 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.55 g/mol  logS: -3.36748  SlogP: 3.8106  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0120169  Sterimol/B1: 2.82871  Sterimol/B2: 3.37467  Sterimol/B3: 3.50206
  Sterimol/B4: 4.09285  Sterimol/L: 26.5641 
 
 Surface and Volume Properties
  Accessible surface: 746.31  Positive charged surface: 612.009  Negative charged surface: 134.301  Volume: 388.25
  Hydrophobic surface: 616.353  Hydrophilic surface: 129.957
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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.