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MDPI-ZINC03843402

 MMsINC code: MMs02176829
Type: Neutral
Formula: C16H30N4
SMILES:   n1cnc(NCCCCCC)cc1NCCCCCC
InChI:   InChI=1/C16H30N4/c1-3-5-7-9-11-17-15-13-16(20-14-19-15)18-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3,(H2,17,18,19,20)

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Potential Energy
Epot(MMFF94)=-9.71985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.444 g/mol  logS: -4.65246  SlogP: 4.461  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0187825  Sterimol/B1: 2.37594  Sterimol/B2: 2.37594  Sterimol/B3: 2.57498
  Sterimol/B4: 11.1516  Sterimol/L: 17.7405 
 
 Surface and Volume Properties
  Accessible surface: 634.249  Positive charged surface: 516.736  Negative charged surface: 117.514  Volume: 316.875
  Hydrophobic surface: 457.681  Hydrophilic surface: 176.568
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.