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CHEMSTAR-ZINC03159694

 MMsINC code: MMs01084899
Type: Neutral
Formula: C12H21FN4
SMILES:   Fc1nc(nc(N(CCCC)CCCC)c1)N
InChI:   InChI=1/C12H21FN4/c1-3-5-7-17(8-6-4-2)11-9-10(13)15-12(14)16-11/h9H,3-8H2,1-2H3,(H2,14,15,16)

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Potential Energy
Epot(MMFF94)=-26.5171 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.326 g/mol  logS: -3.54367  SlogP: 2.6045  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0947292  Sterimol/B1: 2.35327  Sterimol/B2: 3.56767  Sterimol/B3: 3.69931
  Sterimol/B4: 7.25012  Sterimol/L: 13.3975 
 
 Surface and Volume Properties
  Accessible surface: 504.723  Positive charged surface: 364.746  Negative charged surface: 139.977  Volume: 249.375
  Hydrophobic surface: 325.737  Hydrophilic surface: 178.986
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.