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NCID-ZINC05045715

 MMsINC code: MMs02431266
Type: Neutral
Formula: C11H18N6O2
SMILES:   O1CCCCC1n1nc(N=NN(C)C)c(c1)C(=O)N
InChI:   InChI=1/C11H18N6O2/c1-16(2)15-13-11-8(10(12)18)7-17(14-11)9-5-3-4-6-19-9/h7,9H,3-6H2,1-2H3,(H2,12,18)/b15-13+/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=43.9392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.305 g/mol  logS: -0.89764  SlogP: 1.3369  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0333332  Sterimol/B1: 2.84837  Sterimol/B2: 3.21976  Sterimol/B3: 4.6387
  Sterimol/B4: 6.57114  Sterimol/L: 15.1904 
 
 Surface and Volume Properties
  Accessible surface: 524.076  Positive charged surface: 418.1  Negative charged surface: 105.975  Volume: 254.75
  Hydrophobic surface: 382.278  Hydrophilic surface: 141.798
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.