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CHEMBLOCK-ZINC00087389

 MMsINC code: MMs00495582
Type: Neutral
Formula: C14H24N6
SMILES:   n1c(nc(nc1N1CCCC1)NC(C)C)N1CCCC1
InChI:   InChI=1/C14H24N6/c1-11(2)15-12-16-13(19-7-3-4-8-19)18-14(17-12)20-9-5-6-10-20/h11H,3-10H2,1-2H3,(H,15,16,17,18)

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Potential Energy
Epot(MMFF94)=50.9588 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.388 g/mol  logS: -3.66588  SlogP: 1.8923  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0867579  Sterimol/B1: 2.15718  Sterimol/B2: 3.88539  Sterimol/B3: 4.55079
  Sterimol/B4: 8.55834  Sterimol/L: 12.9489 
 
 Surface and Volume Properties
  Accessible surface: 546.203  Positive charged surface: 443.869  Negative charged surface: 102.334  Volume: 283.375
  Hydrophobic surface: 415.116  Hydrophilic surface: 131.087
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.