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MAYBRIDGE-ZINC04324966

 MMsINC code: MMs02167074
Type: Neutral
Formula: C13H24N4O
SMILES:   O=C(Nc1n(nc(c1)C(C)(C)C)C)NCCCC
InChI:   InChI=1/C13H24N4O/c1-6-7-8-14-12(18)15-11-9-10(13(2,3)4)16-17(11)5/h9H,6-8H2,1-5H3,(H2,14,15,18)

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Potential Energy
Epot(MMFF94)=28.5991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.362 g/mol  logS: -2.0324  SlogP: 2.9984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0363688  Sterimol/B1: 3.49712  Sterimol/B2: 3.60416  Sterimol/B3: 3.76116
  Sterimol/B4: 6.05835  Sterimol/L: 17.1807 
 
 Surface and Volume Properties
  Accessible surface: 550.367  Positive charged surface: 418.387  Negative charged surface: 131.981  Volume: 269.625
  Hydrophobic surface: 404.499  Hydrophilic surface: 145.868
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.