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PUBCHEM-ZINC01656934

 MMsINC code: MMs02818047
Type: Neutral
Formula: C11H18N4O
SMILES:   O(CC1CCCCC1)c1nc(nc(N)c1)N
InChI:   InChI=1/C11H18N4O/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H4,12,13,14,15)

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Potential Energy
Epot(MMFF94)=-26.839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.292 g/mol  logS: -3.17851  SlogP: 1.6001  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0452304  Sterimol/B1: 2.81351  Sterimol/B2: 2.86191  Sterimol/B3: 3.41016
  Sterimol/B4: 5.84047  Sterimol/L: 14.4455 
 
 Surface and Volume Properties
  Accessible surface: 459.789  Positive charged surface: 369.332  Negative charged surface: 90.4566  Volume: 221.375
  Hydrophobic surface: 276.15  Hydrophilic surface: 183.639
 
 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.