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PUBCHEM-ZINC05178540

 MMsINC code: MMs03220907
Type: Neutral
Formula: C10H24N6
SMILES:   N(CCCCCCCCN=C(N)N)=C(N)N
InChI:   InChI=1/C10H24N6/c11-9(12)15-7-5-3-1-2-4-6-8-16-10(13)14/h1-8H2,(H4,11,12,15)(H4,13,14,16)

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Potential Energy
Epot(MMFF94)=-44.7688 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.344 g/mol  logS: -2.06914  SlogP: -0.1262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0396737  Sterimol/B1: 2.37533  Sterimol/B2: 2.4897  Sterimol/B3: 3.32215
  Sterimol/B4: 4.13038  Sterimol/L: 18.869 
 
 Surface and Volume Properties
  Accessible surface: 540.254  Positive charged surface: 451.433  Negative charged surface: 88.8213  Volume: 244.875
  Hydrophobic surface: 250.626  Hydrophilic surface: 289.628
 
 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


MMs03220908
PUBCHEM-ZINC05178540