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ENAMINE-ZINC05447396

 MMsINC code: MMs01615489
Type: Neutral
Formula: C11H18N6
SMILES:   n1c(cc(nc1NN=C(C)C)NN=C(C)C)C
InChI:   InChI=1/C11H18N6/c1-7(2)14-16-10-6-9(5)12-11(13-10)17-15-8(3)4/h6H,1-5H3,(H2,12,13,16,17)

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Potential Energy
Epot(MMFF94)=66.7683 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.307 g/mol  logS: -1.84943  SlogP: 2.40042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0214669  Sterimol/B1: 1.969  Sterimol/B2: 2.50649  Sterimol/B3: 2.60906
  Sterimol/B4: 9.85984  Sterimol/L: 13.8444 
 
 Surface and Volume Properties
  Accessible surface: 523.394  Positive charged surface: 353.918  Negative charged surface: 169.476  Volume: 241.75
  Hydrophobic surface: 424.106  Hydrophilic surface: 99.288
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.