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PUBCHEM-ZINC00448934

 MMsINC code: MMs02685655
Type: Neutral
Formula: C11H18N4
SMILES:   n1c(C)c(CC)c(nc1N)N1CCCC1
InChI:   InChI=1/C11H18N4/c1-3-9-8(2)13-11(12)14-10(9)15-6-4-5-7-15/h3-7H2,1-2H3,(H2,12,13,14)

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Potential Energy
Epot(MMFF94)=40.8464 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.293 g/mol  logS: -2.39049  SlogP: 1.52979  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156294  Sterimol/B1: 2.40018  Sterimol/B2: 2.55181  Sterimol/B3: 4.50774
  Sterimol/B4: 8.12412  Sterimol/L: 11.5929 
 
 Surface and Volume Properties
  Accessible surface: 429.707  Positive charged surface: 332.815  Negative charged surface: 96.892  Volume: 214.125
  Hydrophobic surface: 298.884  Hydrophilic surface: 130.823
 
 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.