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PUBCHEM-ZINC05510054

 MMsINC code: MMs03291652
Type: Neutral
Formula: C14H31N5
SMILES:   N(=C(/N=C(\N(CCCC)CCCC)/N)\N)/CCCC
InChI:   InChI=1/C14H31N5/c1-4-7-10-17-13(15)18-14(16)19(11-8-5-2)12-9-6-3/h4-12H2,1-3H3,(H4,15,16,17,18)

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Potential Energy
Epot(MMFF94)=-2.1382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.437 g/mol  logS: -3.26099  SlogP: 2.3181  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132241  Sterimol/B1: 3.27355  Sterimol/B2: 3.38768  Sterimol/B3: 4.87197
  Sterimol/B4: 7.83778  Sterimol/L: 15.9793 
 
 Surface and Volume Properties
  Accessible surface: 566.465  Positive charged surface: 442.489  Negative charged surface: 123.976  Volume: 303.125
  Hydrophobic surface: 361.53  Hydrophilic surface: 204.935
 
 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.